10-methyl-3-[(4-methylphenyl)methyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 10-methyl-3-[(4-methylphenyl)methyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-6-propyl-3-(p-tolylmethyl)-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-3-[(4-methylphenyl)methyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-3-[(4-methylphenyl)methyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-3-(4-methylbenzyl)-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=C(C=C4)C)C=C12)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC4=CC=C(C=C4)C)C=C12)C

InChI

InChI=1S/C23H25NO3/c1-4-5-18-11-21(25)27-23-16(3)22-19(10-20(18)23)13-24(14-26-22)12-17-8-6-15(2)7-9-17/h6-11H,4-5,12-14H2,1-3H3/p+1