(1-cyclohexyl-1,2,3-triazol-4-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-cyclohexyl-1,2,3-triazol-4-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-cyclohexyltriazol-4-yl)methanone CAS Name: (1-cyclohexyl-4-triazolyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-cyclohexyltriazol-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-cyclohexyltriazol-4-yl)methanone Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c32-26(24-20-31(28-27-24)23-14-8-3-9-15-23)30-18-16-29(17-19-30)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,20,23,25H,3,8-9,14-19H2/p+1