2-(3,5-dimethylpyrazol-1-yl)ethyl-[(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(6-methyl-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl)methyl]azanium Openeye Name: (1-allyl-6-methyl-2-oxo-3-quinolyl)methyl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[(6-methyl-2-oxo-1-prop-2-enyl-3-quinolinyl)methyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(6-methyl-2-oxo-1-prop-2-enylquinolin-3-yl)methyl]azanium Traditional Name: (1-allyl-2-keto-6-methyl-3-quinolyl)methyl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCN3C(=CC(=N3)C)C)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH2+]CCN3C(=CC(=N3)C)C)CC=C

InChI

InChI=1S/C21H26N4O/c1-5-9-24-20-7-6-15(2)11-18(20)13-19(21(24)26)14-22-8-10-25-17(4)12-16(3)23-25/h5-7,11-13,22H,1,8-10,14H2,2-4H3/p+1