1-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride

Systemtic Name: 1-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride Openeye Name: 1-[(E)-2-(4-bromo-2-thienyl)vinyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride CAS Name: 1-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride IUPAC Name: 1-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride Traditional Name: 1-[(E)-2-(4-bromo-2-thienyl)vinyl]-6-butoxy-3,4-dihydroisoquinoline hydrochloride Formula: C19H21BrClNOS MolecularWeight: 426.79814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C=CC3=CC(=CS3)Br.Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C=C/C3=CC(=CS3)Br.Cl

InChI

InChI=1S/C19H20BrNOS.ClH/c1-2-3-10-22-16-4-6-18-14(11-16)8-9-21-19(18)7-5-17-12-15(20)13-23-17;/h4-7,11-13H,2-3,8-10H2,1H3;1H/b7-5+;