3-imidazol-1-ylpropyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C20H22N4O2/c1-3-9-24-19-13-18(26-2)6-5-16(19)12-17(20(24)25)14-21-7-4-10-23-11-8-22-15-23/h1,5-6,8,11-13,15,21H,4,7,9-10,14H2,2H3/p+1