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

Systemtic Name: ethyl 4-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(4-isopropylphenyl)tetrazol-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(4-propan-2-ylphenyl)-2-tetrazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-p-cumenyltetrazol-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N6O2+ MolecularWeight: 359.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2N=C(N=N2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2N=C(N=N2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C18H26N6O2/c1-4-26-18(25)23-11-9-22(10-12-23)13-24-20-17(19-21-24)16-7-5-15(6-8-16)14(2)3/h5-8,14H,4,9-13H2,1-3H3/p+1