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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxy-2-oxidanylidene-1-prop-2-ynyl-quinolin-3-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynyl-3-quinolinyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxy-2-oxo-1-prop-2-ynylquinolin-3-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(2-keto-7-methoxy-1-propargyl-3-quinolyl)methyl]ammonium Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]CC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2CC#C)C[NH2+]C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H22N2O4/c1-3-10-25-20-12-18(27-2)9-8-16(20)11-17(23(25)26)13-24-14-19-15-28-21-6-4-5-7-22(21)29-19/h1,4-9,11-12,19,24H,10,13-15H2,2H3/p+1/t19-/m0/s1