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

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C19H23N6O3S+ MolecularWeight: 415.48932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3S/c1-28-17-7-9-18(10-8-17)29(26,27)24-13-11-23(12-14-24)15-19-20-21-22-25(19)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3/p+1