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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(2-furylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(2-furanylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(2-furfuryl)-1-o-veratryl-piperidin-1-ium-4-carboxamide Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H26N2O4/c1-24-18-7-3-5-16(19(18)25-2)14-22-10-8-15(9-11-22)20(23)21-13-17-6-4-12-26-17/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,23)/p+1