N-ethyl-N-[[1-(4H-pyrimidin-3-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide hydrate dihydrochloride

Systemtic Name: N-ethyl-N-[[1-(4H-pyrimidin-3-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide hydrate dihydrochloride Openeye Name: N-ethyl-N-[[1-(4H-pyrimidin-3-yl)-4-piperidyl]methyl]pyridine-3-carboxamide hydrate dihydrochloride CAS Name: N-ethyl-N-[[1-(4H-pyrimidin-3-yl)-4-piperidinyl]methyl]-3-pyridinecarboxamide hydrate dihydrochloride IUPAC Name: N-ethyl-N-[[1-(4H-pyrimidin-3-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide hydrate dihydrochloride Traditional Name: N-ethyl-N-[[1-(4H-pyrimidin-3-yl)-4-piperidyl]methyl]nicotinamide hydrate dihydrochloride Formula: C18H29Cl2N5O2 MolecularWeight: 418.36116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)N2CC=CN=C2)C(=O)C3=CN=CC=C3.O.Cl.Cl

Isomeric SMILES

CCN(CC1CCN(CC1)N2CC=CN=C2)C(=O)C3=CN=CC=C3.O.Cl.Cl

InChI

InChI=1S/C18H25N5O.2ClH.H2O/c1-2-21(18(24)17-5-3-8-19-13-17)14-16-6-11-22(12-7-16)23-10-4-9-20-15-23;;;/h3-5,8-9,13,15-16H,2,6-7,10-12,14H2,1H3;2*1H;1H2