10-methyl-6-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 10-methyl-6-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 3-isopropyl-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-6-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-6-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 3-isopropyl-10-methyl-6-phenyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)C(C)C)C(=CC(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)C(C)C)C(=CC(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-13(2)22-11-16-9-18-17(15-7-5-4-6-8-15)10-19(23)25-21(18)14(3)20(16)24-12-22/h4-10,13H,11-12H2,1-3H3/p+1