[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1S,2S,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H25NO2/c1-12-5-4-6-16(13(12)2)18-11-14-7-9-15(10-8-14)17(19)20-3/h7-10,12-13,16,18H,4-6,11H2,1-3H3/p+1/t12-,13-,16-/m0/s1