(3-cyanophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (3-cyanophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (3-cyanophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (3-cyanobenzyl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H22N2/c1-12-5-3-8-16(13(12)2)18-11-15-7-4-6-14(9-15)10-17/h4,6-7,9,12-13,16,18H,3,5,8,11H2,1-2H3/p+1/t12-,13+,16-/m0/s1