1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanone Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C23H30N4O4S/c1-18(28)19-7-9-20(10-8-19)32(30,31)27-15-13-25(14-16-27)23(29)17-26-12-4-6-22(26)21-5-3-11-24(21)2/h3,5,7-11,22H,4,6,12-17H2,1-2H3/p+1/t22-/m0/s1