JGN
Summary
Name: | [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol |
Formula: | C18 H26 N2 O2 |
Formal charge: | 0 |
Formula weight: | 302.411 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H26N2O2/c1-12-8-13(2)18-16(4-6-19-18)17(12)10-20-7-5-15(22-3)9-14(20)11-21/h4,6,8,14-15,19,21H,5,7,9-11H2,1-3H3/t14-,15-/m0/s1 |
InChIKey | InChI | 1.03 | MBNDMTBONUNJAQ-GJZGRUSLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1 |
SMILES | CACTVS | 3.385 | CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[CH](CO)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1CN3CCC(CC3CO)OC)cc[nH]2)C |