(3S)-N-(3-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(3-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(3-methoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(3-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(3-methoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c1-29-22-11-5-7-19(17-22)24-23(28)27-12-6-10-21(18-27)26-15-13-25(14-16-26)20-8-3-2-4-9-20/h2-5,7-9,11,17,21H,6,10,12-16,18H2,1H3,(H,24,28)/p+1/t21-/m0/s1