4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: N,N-dimethyl-4-[(1-p-phenetyltetrazol-5-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C16H26N7O3S+ MolecularWeight: 396.48774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N7O3S/c1-4-26-15-7-5-14(6-8-15)23-16(17-18-19-23)13-21-9-11-22(12-10-21)27(24,25)20(2)3/h5-8H,4,9-13H2,1-3H3/p+1