3-[(E,3S)-3-azaniumyl-5-phenyl-pent-4-enoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(E,3S)-3-azaniumyl-5-phenyl-pent-4-enoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(E,3S)-3-azaniumyl-5-phenyl-pent-4-enoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(E,3S)-3-ammonio-1-oxo-5-phenylpent-4-enyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(E,3S)-3-azaniumyl-5-phenylpent-4-enoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(E,3S)-3-ammonio-5-phenyl-pent-4-enoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)CC(C=CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)C[C@@H](/C=C/C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H20N2O3/c1-23-17-10-6-5-9-16(17)20(25)19(21(23)26)18(24)13-15(22)12-11-14-7-3-2-4-8-14/h2-12,15,26H,13,22H2,1H3/b12-11+/t15-/m1/s1