1-[2,4-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C18H30N5O4S+ MolecularWeight: 412.5269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H29N5O4S/c1-13-16(15(3)24)14(2)19-17(13)18(25)21-7-11-23(12-8-21)28(26,27)22-9-5-20(4)6-10-22/h19H,5-12H2,1-4H3/p+1