(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Openeye Name: (7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium CAS Name: (7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium IUPAC Name: (7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Traditional Name: (2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl-methyl-[(1R)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NN1)C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)CC#C

Isomeric SMILES

C[C@H](C1=CC(=NN1)C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C(C=C4)OC)N(C3=O)CC#C

InChI

InChI=1S/C26H26N4O2/c1-5-13-30-25-15-22(32-4)12-11-20(25)14-21(26(30)31)17-29(3)18(2)23-16-24(28-27-23)19-9-7-6-8-10-19/h1,6-12,14-16,18H,13,17H2,2-4H3,(H,27,28)/p+1/t18-/m1/s1