1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H24N2O5S/c1-15-11-17(4-6-18(15)25-2)28(23,24)22-9-7-21(8-10-22)13-16-3-5-19-20(12-16)27-14-26-19/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1