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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-phenyl-tetrazol-5-one Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2/c1-2-28-19-11-7-6-10-18(19)24-14-12-23(13-15-24)16-25-20(27)26(22-21-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1