1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethane-1,2-dione

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenyl-ethane-1,2-dione Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-phenyl-ethane-1,2-dione CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-phenylethane-1,2-dione IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-phenylethane-1,2-dione Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-2-phenyl-ethane-1,2-dione Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-19-8-5-6-12-22(19)26-16-14-25(15-17-26)21-11-7-13-27(18-21)24(29)23(28)20-9-3-2-4-10-20/h2-6,8-10,12,21H,7,11,13-18H2,1H3/p+1/t21-/m0/s1