(4-cyano-4-phenyl-cyclohexyl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]azanium

Systemtic Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]azanium Openeye Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]ammonium CAS Name: (4-cyano-4-phenylcyclohexyl)-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]ammonium IUPAC Name: (4-cyano-4-phenylcyclohexyl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]azanium Traditional Name: (4-cyano-4-phenyl-cyclohexyl)-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]ammonium Formula: C21H35N4+3 MolecularWeight: 343.5294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H32N4/c1-24-14-16-25(17-15-24)13-5-12-23-20-8-10-21(18-22,11-9-20)19-6-3-2-4-7-19/h2-4,6-7,20,23H,5,8-17H2,1H3/p+3