1-(2-methylphenyl)carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-o-toluoyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3O2/c1-15-7-3-4-8-16(15)17(23)21-13-9-19(10-14-21,18(20)24)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,24)/p+1