NYP
Summary
| Name: | N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM |
| Formula: | C11 H18 N |
| Formal charge: | 1 |
| Formula weight: | 164.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-cyclohex-3-en-1-yl-N-methyl-N-[(1E)-prop-2-en-1-ylidene]methanaminium |
| OpenEye OEToolkits | 1.5.0 | (E)-1-cyclohex-3-enylmethyl-methyl-prop-2-enylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C(=[N+](/CC1CC=CCC1)C)\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | C\[N+](C[C@H]1CCC=CC1)=C/C=C |
| SMILES | CACTVS | 3.341 | C[N+](C[CH]1CCC=CC1)=CC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C/[N+](=C\C=C)/CC1CCC=CC1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](=CC=C)CC1CCC=CC1 |
| InChI | InChI | 1.03 | InChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | JBWDRSYKLIXPFB-LWMMSDEHSA-N |
