2-(3,5-dimethylpyrazol-1-yl)ethyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[NH2+]CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC#C)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC#C)C

InChI

InChI=1S/C21H24N4O2/c1-5-9-24-20-13-19(27-4)7-6-17(20)12-18(21(24)26)14-22-8-10-25-16(3)11-15(2)23-25/h1,6-7,11-13,22H,8-10,14H2,2-4H3/p+1