[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-pyridin-3-yl-azanium chloride hydrochloride

Systemtic Name: [4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-pyridin-3-yl-azanium chloride hydrochloride Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-(3-pyridyl)ammonium chloride hydrochloride CAS Name: [7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl-(3-pyridinyl)ammonium chloride hydrochloride IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-pyridin-3-ylazanium chloride hydrochloride Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-(3-pyridyl)ammonium chloride hydrochloride Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CN=CC=C3)O)CC4=CC=CC=C4.Cl.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CN=CC=C3)O)CC4=CC=CC=C4.Cl.[Cl-]

InChI

InChI=1S/C23H20N2O3.2ClH/c1-15-18-9-10-21(26)20(14-25-17-8-5-11-24-13-17)22(18)28-23(27)19(15)12-16-6-3-2-4-7-16;;/h2-11,13,25-26H,12,14H2,1H3;2*1H