Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(cn1)n1ncc2cc(Cl)c(cc12)C1CC[NH+](CC1)C1COC1 |
InChI | InChI | 1.06 | InChI=1S/C19H22ClN5O/c1-23-10-15(9-21-23)25-19-7-17(18(20)6-14(19)8-22-25)13-2-4-24(5-3-13)16-11-26-12-16/h6-10,13,16H,2-5,11-12H2,1H3/p+1 |
InChIKey | InChI | 1.06 | QNTMOHJVKJNXDF-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)n2ncc3cc(Cl)c(cc23)C4CC[NH+](CC4)C5COC5 |
SMILES | CACTVS | 3.385 | Cn1cc(cn1)n2ncc3cc(Cl)c(cc23)C4CC[NH+](CC4)C5COC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)n2c3cc(c(cc3cn2)Cl)C4CC[NH+](CC4)C5COC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(cn1)n2c3cc(c(cc3cn2)Cl)C4CC[NH+](CC4)C5COC5 |