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

Systemtic Name: [(2S)-1,4-dioxan-2-yl]methyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]-methyl-azanium Openeye Name: [(2S)-1,4-dioxan-2-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]-methyl-ammonium CAS Name: [(2S)-1,4-dioxan-2-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]-methylammonium IUPAC Name: [(2S)-1,4-dioxan-2-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]-methylazanium Traditional Name: [(2S)-1,4-dioxan-2-yl]methyl-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]-methyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COCCO1)CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC#C

Isomeric SMILES

C[NH+](C[C@H]1COCCO1)CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC#C

InChI

InChI=1S/C20H24N2O4/c1-4-7-22-19-11-17(24-3)6-5-15(19)10-16(20(22)23)12-21(2)13-18-14-25-8-9-26-18/h1,5-6,10-11,18H,7-9,12-14H2,2-3H3/p+1/t18-/m0/s1