N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzodioxol-5-amine Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzodioxol-5-amine CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C18H21N4O6S+ MolecularWeight: 421.44754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-20-6-8-21(9-7-20)29(25,26)14-3-4-15(16(11-14)22(23)24)19-13-2-5-17-18(10-13)28-12-27-17/h2-5,10-11,19H,6-9,12H2,1H3/p+1