N-cyclopropyl-1-[1-(3-methylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-(3-methylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-(3-methylbenzoyl)-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(3-methylphenyl)-oxomethyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopropyl-1-(1-m-toluoyl-4-piperidyl)piperidin-1-ium-4-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CC4

InChI

InChI=1S/C22H31N3O2/c1-16-3-2-4-18(15-16)22(27)25-13-9-20(10-14-25)24-11-7-17(8-12-24)21(26)23-19-5-6-19/h2-4,15,17,19-20H,5-14H2,1H3,(H,23,26)/p+1