(1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-yl-cyclohexane-1-carboxamide hydrate dihydrochloride

Systemtic Name: (1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-yl-cyclohexane-1-carboxamide hydrate dihydrochloride Openeye Name: (1S,2R,4S)-4-(aminomethyl)-2-methyl-N-(4-pyridyl)cyclohexanecarboxamide hydrate dihydrochloride CAS Name: (1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-yl-1-cyclohexanecarboxamide hydrate dihydrochloride IUPAC Name: (1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide hydrate dihydrochloride Traditional Name: (1S,2R,4S)-4-(aminomethyl)-2-methyl-N-(4-pyridyl)cyclohexanecarboxamide hydrate dihydrochloride Formula: C14H25Cl2N3O2 MolecularWeight: 338.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1C(=O)NC2=CC=NC=C2)CN.O.Cl.Cl

Isomeric SMILES

C[C@@H]1C[C@H](CC[C@@H]1C(=O)NC2=CC=NC=C2)CN.O.Cl.Cl

InChI

InChI=1S/C14H21N3O.2ClH.H2O/c1-10-8-11(9-15)2-3-13(10)14(18)17-12-4-6-16-7-5-12;;;/h4-7,10-11,13H,2-3,8-9,15H2,1H3,(H,16,17,18);2*1H;1H2/t10-,11+,13+;;;/m1.../s1