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

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C22H27ClN2O3/c1-27-20-8-7-16(13-21(20)28-2)15-25-11-9-17(10-12-25)22(26)24-14-18-5-3-4-6-19(18)23/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,26)/p+1