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

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-24-16-8-4-5-12-9-13(11-25-18(12)16)20-10-17-21-15-7-3-2-6-14(15)19(23)22-17/h2-8,13,20H,9-11H2,1H3,(H,21,22,23)/p+1/t13-/m0/s1