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

Systemtic Name: N-cyclohexyl-4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-cyclohexyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-cyclohexyl-4-[[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-cyclohexyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-cyclohexyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C20H30N7O2+ MolecularWeight: 400.4979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)C[NH+]3CCN(CC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C20H29N7O2/c1-29-18-9-7-17(8-10-18)27-19(22-23-24-27)15-25-11-13-26(14-12-25)20(28)21-16-5-3-2-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,21,28)/p+1