1-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-26-19-6-5-16(12-20(19)27-2)15-24-10-7-18(8-11-24)21(25)23-14-17-4-3-9-22-13-17/h3-6,9,12-13,18H,7-8,10-11,14-15H2,1-2H3,(H,23,25)/p+1