cyclohexyl-methyl-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]azanium

Systemtic Name: cyclohexyl-methyl-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]azanium Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-methyl-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]ammonium IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H36N4O/c1-28(24-10-6-3-7-11-24)21-26(31)27-23-12-14-25(15-13-23)30-18-16-29(17-19-30)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,24H,3,6-7,10-11,16-21H2,1H3,(H,27,31)/p+2