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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H23N6O2S+ MolecularWeight: 387.47922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H22N6O2S/c1-2-26-16-7-4-3-6-15(16)22-11-9-21(10-12-22)14-23-18(25)24(20-19-23)17-8-5-13-27-17/h3-8,13H,2,9-12,14H2,1H3/p+1