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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[2-(2-methylphenyl)ethanoyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[2-(o-tolyl)acetyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[2-(2-methylphenyl)-1-oxoethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[2-(o-tolyl)acetyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C23H33N3O2/c1-17-5-2-3-6-18(17)15-22(27)25-13-10-21(11-14-25)26-12-4-7-19(16-26)23(28)24-20-8-9-20/h2-3,5-6,19-21H,4,7-16H2,1H3,(H,24,28)/p+1/t19-/m0/s1