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

Systemtic Name: methyl 4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1-p-phenetyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxylic acid methyl ester Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-3-25-14-6-4-13(5-7-14)22-15(17-18-19-22)12-20-8-10-21(11-9-20)16(23)24-2/h4-7H,3,8-12H2,1-2H3/p+1