1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1-p-phenetyltetrazol-5-yl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C18H23N6O3S2+ MolecularWeight: 435.54362

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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)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H22N6O3S2/c1-2-27-16-7-5-15(6-8-16)24-17(19-20-21-24)14-22-9-11-23(12-10-22)29(25,26)18-4-3-13-28-18/h3-8,13H,2,9-12,14H2,1H3/p+1