dimethyl-[3-[[2-oxidanylidene-1-(2-oxidanylpropoxy)quinolin-3-yl]amino]propanoyl]-phenyl-azanium

Systemtic Name: dimethyl-[3-[[2-oxidanylidene-1-(2-oxidanylpropoxy)quinolin-3-yl]amino]propanoyl]-phenyl-azanium Openeye Name: 3-[[1-(2-hydroxypropoxy)-2-oxo-3-quinolyl]amino]propanoyl-dimethyl-phenyl-ammonium CAS Name: [3-[[1-(2-hydroxypropoxy)-2-oxo-3-quinolinyl]amino]-1-oxopropyl]-dimethyl-phenylammonium IUPAC Name: 3-[[1-(2-hydroxypropoxy)-2-oxoquinolin-3-yl]amino]propanoyl-dimethyl-phenylazanium Traditional Name: 3-[[1-(2-hydroxypropoxy)-2-keto-3-quinolyl]amino]propanoyl-dimethyl-phenyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CON1C2=CC=CC=C2C=C(C1=O)NCCC(=O)[N+](C)(C)C3=CC=CC=C3)O

Isomeric SMILES

CC(CON1C2=CC=CC=C2C=C(C1=O)NCCC(=O)[N+](C)(C)C3=CC=CC=C3)O

InChI

InChI=1S/C23H28N3O4/c1-17(27)16-30-25-21-12-8-7-9-18(21)15-20(23(25)29)24-14-13-22(28)26(2,3)19-10-5-4-6-11-19/h4-12,15,17,24,27H,13-14,16H2,1-3H3/q+1