(3S)-N-cyclopropyl-1-[1-(2-methylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2-methylphenyl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2-methylbenzoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-(1-o-toluoyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C22H31N3O2/c1-16-5-2-3-7-20(16)22(27)24-13-10-19(11-14-24)25-12-4-6-17(15-25)21(26)23-18-8-9-18/h2-3,5,7,17-19H,4,6,8-15H2,1H3,(H,23,26)/p+1/t17-/m0/s1