1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C20H25N6O4S+ MolecularWeight: 445.5153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C20H24N6O4S/c1-29-18-9-8-17(14-19(18)30-2)31(27,28)25-12-10-24(11-13-25)15-20-21-22-23-26(20)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1