(4-cyano-4-phenyl-cyclohexyl)-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]azanium

Systemtic Name: (4-cyano-4-phenyl-cyclohexyl)-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]azanium Openeye Name: (4-cyano-4-phenyl-cyclohexyl)-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ammonium CAS Name: (4-cyano-4-phenylcyclohexyl)-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: (4-cyano-4-phenylcyclohexyl)-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]azanium Traditional Name: (4-cyano-4-phenyl-cyclohexyl)-[2-(morpholin-4-ium-4-ylmethyl)benzyl]ammonium Formula: C25H33N3O+2 MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]CC2=CC=CC=C2C[NH+]3CCOCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1[NH2+]CC2=CC=CC=C2C[NH+]3CCOCC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c26-20-25(23-8-2-1-3-9-23)12-10-24(11-13-25)27-18-21-6-4-5-7-22(21)19-28-14-16-29-17-15-28/h1-9,24,27H,10-19H2/p+2