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

Systemtic Name: 10-methyl-3-phenethyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-3-phenethyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-3-phenethyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-3-phenethyl-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-3-phenethyl-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)CCC4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CCC4=CC=CC=C4)C=C12)C

InChI

InChI=1S/C23H25NO3/c1-3-7-18-13-21(25)27-23-16(2)22-19(12-20(18)23)14-24(15-26-22)11-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-15H2,1-2H3/p+1