(4-cyano-4-phenyl-cyclohexyl)-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]azanium

Systemtic Name: (4-cyano-4-phenyl-cyclohexyl)-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]azanium Openeye Name: (4-cyano-4-phenyl-cyclohexyl)-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]ammonium CAS Name: (4-cyano-4-phenylcyclohexyl)-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]ammonium IUPAC Name: (4-cyano-4-phenylcyclohexyl)-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium Traditional Name: (4-cyano-4-phenyl-cyclohexyl)-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]ammonium Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)[NH2+]C2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O/c1-17-9-10-22(26-3)21(15-17)18(2)25-20-11-13-23(16-24,14-12-20)19-7-5-4-6-8-19/h4-10,15,18,20,25H,11-14H2,1-3H3/p+1/t18-,20?,23?/m0/s1