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

Systemtic Name: 1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium CAS Name: 1-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-4-(3-pyridinylsulfonyl)piperazin-1-ium IUPAC Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1-p-phenetyltetrazol-5-yl)methyl]-4-(3-pyridylsulfonyl)piperazin-1-ium Formula: C19H24N7O3S+ MolecularWeight: 430.50396

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O3S/c1-2-29-17-7-5-16(6-8-17)26-19(21-22-23-26)15-24-10-12-25(13-11-24)30(27,28)18-4-3-9-20-14-18/h3-9,14H,2,10-13,15H2,1H3/p+1