N-(furan-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(furan-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(2-furylmethyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(2-furanylmethyl)-N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(furan-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-furfuryl-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H23N4O5S+ MolecularWeight: 395.45332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S/c1-18-7-9-20(10-8-18)27(24,25)15-5-6-16(17(12-15)21(22)23)19(2)13-14-4-3-11-26-14/h3-6,11-12H,7-10,13H2,1-2H3/p+1