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2-[(phenylmethyl)amino]ethyl pyridine-3-carboxylate hydrate dihydrochloride

2-[(phenylmethyl)amino]ethyl pyridine-3-carboxylate hydrate dihydrochloride

Systemtic Name:2-[(phenylmethyl)amino]ethyl pyridine-3-carboxylate hydrate dihydrochloride
Openeye Name:2-(benzylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride
CAS Name:3-pyridinecarboxylic acid 2-[(phenylmethyl)amino]ethyl ester hydrate dihydrochloride
IUPAC Name:2-(benzylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride
Traditional Name:nicotinic acid 2-(benzylamino)ethyl ester hydrate dihydrochloride
Formula: C15H20Cl2N2O3
MolecularWeight: 347.2369
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCOC(=O)C2=CN=CC=C2.O.Cl.Cl


Isomeric SMILES

C1=CC=C(C=C1)CNCCOC(=O)C2=CN=CC=C2.O.Cl.Cl


InChI

InChI=1S/C15H16N2O2.2ClH.H2O/c18-15(14-7-4-8-16-12-14)19-10-9-17-11-13-5-2-1-3-6-13;;;/h1-8,12,17H,9-11H2;2*1H;1H2


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