(3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(2,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3/c1-30-21-10-11-22(23(17-21)31-2)25-24(29)28-12-6-9-20(18-28)27-15-13-26(14-16-27)19-7-4-3-5-8-19/h3-5,7-8,10-11,17,20H,6,9,12-16,18H2,1-2H3,(H,25,29)/p+1/t20-/m0/s1