(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-(pyridin-2-ylmethyl)azanium Openeye Name: (7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl-(2-pyridylmethyl)ammonium CAS Name: (7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl-(2-pyridinylmethyl)ammonium IUPAC Name: (7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl-(pyridin-2-ylmethyl)azanium Traditional Name: (2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl-(2-pyridylmethyl)ammonium Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]CC3=CC=CC=N3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]CC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O2/c1-3-10-23-19-12-18(25-2)8-7-15(19)11-16(20(23)24)13-21-14-17-6-4-5-9-22-17/h1,4-9,11-12,21H,10,13-14H2,2H3/p+1