3-(aminomethyl)-N-pyridin-4-yl-benzamide hydrate dihydrochloride

Systemtic Name: 3-(aminomethyl)-N-pyridin-4-yl-benzamide hydrate dihydrochloride Openeye Name: 3-(aminomethyl)-N-(4-pyridyl)benzamide hydrate dihydrochloride CAS Name: 3-(aminomethyl)-N-pyridin-4-ylbenzamide hydrate dihydrochloride IUPAC Name: 3-(aminomethyl)-N-pyridin-4-ylbenzamide hydrate dihydrochloride Traditional Name: 3-(aminomethyl)-N-(4-pyridyl)benzamide hydrate dihydrochloride Formula: C13H17Cl2N3O2 MolecularWeight: 318.19898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN)C(=O)NC2=CC=NC=C2.O.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)CN)C(=O)NC2=CC=NC=C2.O.Cl.Cl

InChI

InChI=1S/C13H13N3O.2ClH.H2O/c14-9-10-2-1-3-11(8-10)13(17)16-12-4-6-15-7-5-12;;;/h1-8H,9,14H2,(H,15,16,17);2*1H;1H2