2-[3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate

Systemtic Name: 2-[3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Openeye Name: 2-[3-(4-bromophenyl)-3-oxo-prop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate CAS Name: 2-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate IUPAC Name: 2-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Traditional Name: 2-[3-(4-bromophenyl)-3-keto-prop-1-enyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1C=CC(=O)C3=CC=C(C=C3)Br)[O-])OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CC[NH+]1C=CC(=O)C3=CC=C(C=C3)Br)[O-])OC

InChI

InChI=1S/C20H20BrNO3/c1-13-17-12-20(25-2)19(24)11-15(17)7-9-22(13)10-8-18(23)14-3-5-16(21)6-4-14/h3-6,8,10-13,24H,7,9H2,1-2H3