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

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-5-9-23-19-12-18(25-4)7-6-15(19)11-16(20(23)24)14-22-17-8-10-26-21(2,3)13-17/h1,6-7,11-12,17,22H,8-10,13-14H2,2-4H3/p+1/t17-/m0/s1