1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C18H20N3O6S+ MolecularWeight: 406.4329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c22-21(23)15-3-1-2-4-18(15)28(24,25)20-9-7-19(8-10-20)12-14-5-6-16-17(11-14)27-13-26-16/h1-6,11H,7-10,12-13H2/p+1