1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-(2,4-dimethoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O3/c1-26-18-6-7-19(20(13-18)27-2)23-21(25)16-8-10-24(11-9-16)14-15-4-3-5-17(22)12-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,25)/p+1