1-phenyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-phenyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-phenyl-4-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-tetrazolone IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-tetrazol-5-one Formula: C19H23N6O3S+ MolecularWeight: 415.48932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6O3S/c26-19-24(20-21-25(19)18-9-5-2-6-10-18)16-22-11-13-23(14-12-22)29(27,28)15-17-7-3-1-4-8-17/h1-10H,11-16H2/p+1