2-(butylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride

Systemtic Name: 2-(butylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride Openeye Name: 2-(butylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride CAS Name: 3-pyridinecarboxylic acid 2-(butylamino)ethyl ester hydrate dihydrochloride IUPAC Name: 2-(butylamino)ethyl pyridine-3-carboxylate hydrate dihydrochloride Traditional Name: nicotinic acid 2-(butylamino)ethyl ester hydrate dihydrochloride Formula: C12H22Cl2N2O3 MolecularWeight: 313.22068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC(=O)C1=CN=CC=C1.O.Cl.Cl

Isomeric SMILES

CCCCNCCOC(=O)C1=CN=CC=C1.O.Cl.Cl

InChI

InChI=1S/C12H18N2O2.2ClH.H2O/c1-2-3-6-13-8-9-16-12(15)11-5-4-7-14-10-11;;;/h4-5,7,10,13H,2-3,6,8-9H2,1H3;2*1H;1H2