1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-carbonyl]isonipecotamide Formula: C22H34N3O5+ MolecularWeight: 420.52246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H33N3O5/c1-28-18-12-15(13-19(29-2)20(18)30-3)14-24-8-4-17(5-9-24)22(27)25-10-6-16(7-11-25)21(23)26/h12-13,16-17H,4-11,14H2,1-3H3,(H2,23,26)/p+1