1-[1-(2,4-dimethylphenyl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(2,4-dimethylphenyl)carbonylpiperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2,4-dimethylbenzoyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2,4-dimethylphenyl)-oxomethyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2,4-dimethylbenzoyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=N4)C

InChI

InChI=1S/C26H34N4O2/c1-19-6-7-24(20(2)17-19)26(32)30-15-10-23(11-16-30)29-13-8-21(9-14-29)25(31)28-18-22-5-3-4-12-27-22/h3-7,12,17,21,23H,8-11,13-16,18H2,1-2H3,(H,28,31)/p+1