4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-N-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N7O2/c1-31-20-9-7-19(8-10-20)29-21(24-25-26-29)17-27-13-15-28(16-14-27)22(30)23-12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,23,30)/p+1