1-[(2,5-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,5-dimethoxybenzyl)-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

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