(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ammonium Formula: C20H19ClNO4+ MolecularWeight: 372.82216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H]3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C20H18ClNO4/c1-12-6-19-15(8-16(12)21)13(7-20(23)26-19)9-22-10-14-11-24-17-4-2-3-5-18(17)25-14/h2-8,14,22H,9-11H2,1H3/p+1/t14-/m0/s1