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

Systemtic Name: cyclohexyl-methyl-[[2-[[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azaniumyl]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonio]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonio]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azaniumyl]phenyl]methyl]azanium Traditional Name: cyclohexyl-[2-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]ammonio]benzyl]-methyl-ammonium Formula: C25H36N4O2S+2 MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1[NH2+]CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C25H34N4O2S/c1-27(21-9-3-2-4-10-21)19-20-8-5-6-11-22(20)26-18-24(30)28-13-15-29(16-14-28)25(31)23-12-7-17-32-23/h5-8,11-12,17,21,26H,2-4,9-10,13-16,18-19H2,1H3/p+2