2-[methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanol

Systemtic Name: 2-[methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanol Openeye Name: 2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]ethanol CAS Name: 2-[N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]ethanol IUPAC Name: 2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]ethanol Traditional Name: 2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]ethanol Formula: C14H23N4O5S+ MolecularWeight: 359.42122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCO)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O5S/c1-15-5-7-17(8-6-15)24(22,23)12-3-4-13(16(2)9-10-19)14(11-12)18(20)21/h3-4,11,19H,5-10H2,1-2H3/p+1