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

Systemtic Name: 1-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H23N6O2S+ MolecularWeight: 399.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C19H22N6O2S/c1-16-13-18(7-8-19(16)25-15-20-21-22-25)28(26,27)24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1