N-[(3-chlorophenyl)methyl]-3-(1-cyclohexylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-(1-cyclohexylpiperidin-1-ium-4-yl)propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-(1-cyclohexylpiperidin-1-ium-4-yl)propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-(1-cyclohexyl-4-piperidin-1-iumyl)propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-(1-cyclohexylpiperidin-1-ium-4-yl)propanamide Traditional Name: N-(3-chlorobenzyl)-3-(1-cyclohexylpiperidin-1-ium-4-yl)propionamide Formula: C21H32ClN2O+ MolecularWeight: 363.94458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H31ClN2O/c22-19-6-4-5-18(15-19)16-23-21(25)10-9-17-11-13-24(14-12-17)20-7-2-1-3-8-20/h4-6,15,17,20H,1-3,7-14,16H2,(H,23,25)/p+1