[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(4-oxo-1H-quinolin-2-yl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[(4-oxo-1H-quinolin-2-yl)methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-oxo-1H-quinolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinolin-2-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N2O3/c1-24-19-8-4-5-13-9-15(12-25-20(13)19)21-11-14-10-18(23)16-6-2-3-7-17(16)22-14/h2-8,10,15,21H,9,11-12H2,1H3,(H,22,23)/p+1/t15-/m0/s1