1-[3-(3,4-dimethylphenoxy)propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-(3,4-dimethylphenoxy)propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(3,4-dimethylphenoxy)propyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCC[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H32N2O2/c1-19-9-10-23(17-20(19)2)28-16-6-13-26-14-11-22(12-15-26)24(27)25-18-21-7-4-3-5-8-21/h3-5,7-10,17,22H,6,11-16,18H2,1-2H3,(H,25,27)/p+1