(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium

Systemtic Name: (6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium Openeye Name: (1-allyl-6-methyl-2-oxo-3-quinolyl)methyl-[(1S)-1-(2-methylthiazol-4-yl)ethyl]ammonium CAS Name: (6-methyl-2-oxo-1-prop-2-enyl-3-quinolinyl)methyl-[(1S)-1-(2-methyl-4-thiazolyl)ethyl]ammonium IUPAC Name: (6-methyl-2-oxo-1-prop-2-enylquinolin-3-yl)methyl-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]azanium Traditional Name: (1-allyl-2-keto-6-methyl-3-quinolyl)methyl-[(1S)-1-(2-methylthiazol-4-yl)ethyl]ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]C(C)C3=CSC(=N3)C)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+][C@@H](C)C3=CSC(=N3)C)CC=C

InChI

InChI=1S/C20H23N3OS/c1-5-8-23-19-7-6-13(2)9-16(19)10-17(20(23)24)11-21-14(3)18-12-25-15(4)22-18/h5-7,9-10,12,14,21H,1,8,11H2,2-4H3/p+1/t14-/m0/s1