1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-carbonyl]isonipecotamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N)OC

InChI

InChI=1S/C21H31N3O4/c1-27-18-4-3-17(19(13-18)28-2)14-23-9-5-16(6-10-23)21(26)24-11-7-15(8-12-24)20(22)25/h3-4,13,15-16H,5-12,14H2,1-2H3,(H2,22,25)/p+1