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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CO3)OC

InChI

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