N-[2-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-methyl-2-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [2-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)propyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H33N5O4S+2 MolecularWeight: 427.56142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H31N5O4S/c1-19(2,22-12-10-21(3)11-13-22)15-20-17-7-6-16(14-18(17)24(25)26)29(27,28)23-8-4-5-9-23/h6-7,14,20H,4-5,8-13,15H2,1-3H3/p+2