dimethyl-[(2R)-4-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]pentan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-4-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1R)-3-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]methyl]butyl]ammonium CAS Name: dimethyl-[(2R)-4-methyl-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-4-methyl-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]pentan-2-yl]azanium Traditional Name: dimethyl-[(1R)-3-methyl-1-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]methyl]butyl]ammonium Formula: C19H35N5O4S+2 MolecularWeight: 429.5773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-])[NH+](C)C

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-])[NH+](C)C

InChI

InChI=1S/C19H33N5O4S/c1-15(2)12-16(21(3)4)14-20-18-7-6-17(13-19(18)24(25)26)29(27,28)23-10-8-22(5)9-11-23/h6-7,13,15-16,20H,8-12,14H2,1-5H3/p+2/t16-/m1/s1