(3S)-N-(2-chloranyl-6-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-6-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(2-chloro-6-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(2-chloro-6-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2-chloro-6-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(2-chloro-6-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C23H30ClN4O+ MolecularWeight: 413.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29ClN4O/c1-18-7-5-11-21(24)22(18)25-23(29)28-12-6-10-20(17-28)27-15-13-26(14-16-27)19-8-3-2-4-9-19/h2-5,7-9,11,20H,6,10,12-17H2,1H3,(H,25,29)/p+1/t20-/m0/s1