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

Systemtic Name: (2-aminocarbonylphenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (2-carbamoylphenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (2-carbamoylphenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (2-carbamoylphenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (2-carbamoylbenzyl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC=CC=C2C(=O)N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C16H24N2O/c1-11-6-5-9-15(12(11)2)18-10-13-7-3-4-8-14(13)16(17)19/h3-4,7-8,11-12,15,18H,5-6,9-10H2,1-2H3,(H2,17,19)/p+1/t11-,12+,15-/m0/s1