(4-methylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N3O3S/c1-14-5-6-15(24(22,23)20-7-3-4-8-20)13-16(14)17(21)19-11-9-18(2)10-12-19/h5-6,13H,3-4,7-12H2,1-2H3/p+1