cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azaniumyl]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azaniumyl]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonio]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonio]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azaniumyl]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]ammonio]benzyl]-methyl-ammonium Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H36N4O/c1-28(23-11-4-2-5-12-23)21-22-10-8-9-15-25(22)27-20-26(31)30-18-16-29(17-19-30)24-13-6-3-7-14-24/h3,6-10,13-15,23,27H,2,4-5,11-12,16-21H2,1H3/p+2