[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride CAS Name: 6-(aminomethyl)-3-pyridinecarboxylic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester dihydrochloride IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride Traditional Name: 6-(aminomethyl)nicotinic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester dihydrochloride Formula: C17H28Cl2N2O2 MolecularWeight: 363.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CN=C(C=C2)CN)C(C)C.Cl.Cl

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CN=C(C=C2)CN)C(C)C.Cl.Cl

InChI

InChI=1S/C17H26N2O2.2ClH/c1-11(2)15-7-4-12(3)8-16(15)21-17(20)13-5-6-14(9-18)19-10-13;;/h5-6,10-12,15-16H,4,7-9,18H2,1-3H3;2*1H/t12-,15-,16+;;/m1../s1