[7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [7-chloro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl-(3-thienylmethyl)ammonium CAS Name: [7-chloro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [7-chloro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [7-chloro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl-(3-thenyl)ammonium Formula: C21H19ClN3OS+ MolecularWeight: 396.91306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN2C3=C(C=CC(=C3)Cl)C=C(C2=O)C[NH2+]CC4=CSC=C4

Isomeric SMILES

C1=CC=NC(=C1)CN2C3=C(C=CC(=C3)Cl)C=C(C2=O)C[NH2+]CC4=CSC=C4

InChI

InChI=1S/C21H18ClN3OS/c22-18-5-4-16-9-17(12-23-11-15-6-8-27-14-15)21(26)25(20(16)10-18)13-19-3-1-2-7-24-19/h1-10,14,23H,11-13H2/p+1