6-chloranyl-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-chloro-3,4-dimethyl-9-(p-tolylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-chloro-3,4-dimethyl-9-[(4-methylphenyl)methyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-chloro-3,4-dimethyl-9-(4-methylbenzyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H21ClNO3+ MolecularWeight: 370.84934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC3=C4C(=CC(=C3OC2)Cl)C(=C(C(=O)O4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC3=C4C(=CC(=C3OC2)Cl)C(=C(C(=O)O4)C)C

InChI

InChI=1S/C21H20ClNO3/c1-12-4-6-15(7-5-12)9-23-10-17-19-16(8-18(22)20(17)25-11-23)13(2)14(3)21(24)26-19/h4-8H,9-11H2,1-3H3/p+1