N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,3,4-trimethoxy-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,3,4-trimethoxybenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2,3,4-trimethoxy-benzamide Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C22H27ClN2O4/c1-27-19-9-8-18(20(28-2)21(19)29-3)22(26)24-17-10-12-25(13-11-17)14-15-4-6-16(23)7-5-15/h4-9,17H,10-14H2,1-3H3,(H,24,26)/p+1