2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]pyridine-3-carbonitrile hydrochloride

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]pyridine-3-carbonitrile hydrochloride Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]pyridine-3-carbonitrile hydrochloride CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-pyridinecarbonitrile hydrochloride IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]pyridine-3-carbonitrile hydrochloride Traditional Name: 2-[3-(homoveratrylamino)-2-hydroxy-propoxy]nicotinonitrile hydrochloride Formula: C19H24ClN3O4 MolecularWeight: 393.86456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=CC=N2)C#N)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=CC=N2)C#N)O)OC.Cl

InChI

InChI=1S/C19H23N3O4.ClH/c1-24-17-6-5-14(10-18(17)25-2)7-9-21-12-16(23)13-26-19-15(11-20)4-3-8-22-19;/h3-6,8,10,16,21,23H,7,9,12-13H2,1-2H3;1H