4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4

InChI

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