N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[[1-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]methyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-phenethyl-triazole-4-carboxamide Formula: C23H35N6O+ MolecularWeight: 411.5636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2(CCCCC2)CNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2(CCCCC2)CNC(=O)C3=CN(N=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H34N6O/c1-27-14-16-28(17-15-27)23(11-6-3-7-12-23)19-24-22(30)21-18-29(26-25-21)13-10-20-8-4-2-5-9-20/h2,4-5,8-9,18H,3,6-7,10-17,19H2,1H3,(H,24,30)/p+1