(4-methoxycarbonylphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-12-5-3-4-6-15(12)17-11-13-7-9-14(10-8-13)16(18)19-2/h7-10,12,15,17H,3-6,11H2,1-2H3/p+1/t12-,15+/m1/s1