(7-chloranyl-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-[(4R)-2,2-dimethyloxan-4-yl]azanium

Systemtic Name: (7-chloranyl-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl-[(4R)-2,2-dimethyloxan-4-yl]azanium Openeye Name: (7-chloro-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl-[(4R)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: (7-chloro-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl-[(4R)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: (7-chloro-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl-[(4R)-2,2-dimethyloxan-4-yl]azanium Traditional Name: (7-chloro-2-keto-1-propargyl-3-quinolyl)methyl-[(4R)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC#C)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC#C)C

InChI

InChI=1S/C20H23ClN2O2/c1-4-8-23-18-11-16(21)6-5-14(18)10-15(19(23)24)13-22-17-7-9-25-20(2,3)12-17/h1,5-6,10-11,17,22H,7-9,12-13H2,2-3H3/p+1/t17-/m1/s1