1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]carbonyl-1H-pyrrol-2-yl]ethanone Openeye Name: 1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone CAS Name: 1-[3,5-dimethyl-4-[oxo-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-1H-pyrrol-2-yl]ethanone IUPAC Name: 1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone Traditional Name: 1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4)C)C(=O)C

InChI

InChI=1S/C24H32N4O2/c1-17-22(18(2)25-23(17)19(3)29)24(30)28-11-7-10-21(16-28)27-14-12-26(13-15-27)20-8-5-4-6-9-20/h4-6,8-9,21,25H,7,10-16H2,1-3H3/p+1/t21-/m0/s1