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

Systemtic Name: 4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]-N-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-phenethyl-4-[(1-p-phenetyltetrazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C23H30N7O2+ MolecularWeight: 436.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H29N7O2/c1-2-32-21-10-8-20(9-11-21)30-22(25-26-27-30)18-28-14-16-29(17-15-28)23(31)24-13-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,24,31)/p+1