2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-quinolin-1-ium-3-carbaldehyde

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-quinolin-1-ium-3-carbaldehyde Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-quinolin-1-ium-3-carbaldehyde CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxyquinolin-1-ium-3-carbaldehyde Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-quinolin-1-ium-3-carbaldehyde Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C([NH+]=C2C=C1)N3CCC4=CC=CC=C4C3)C=O

Isomeric SMILES

CCOC1=CC2=CC(=C([NH+]=C2C=C1)N3CCC4=CC=CC=C4C3)C=O

InChI

InChI=1S/C21H20N2O2/c1-2-25-19-7-8-20-17(12-19)11-18(14-24)21(22-20)23-10-9-15-5-3-4-6-16(15)13-23/h3-8,11-12,14H,2,9-10,13H2,1H3/p+1