9-(phenylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(phenylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-benzyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(phenylmethyl)-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-benzyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-benzyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-2-6-16-11-20(23)25-21-17(16)9-10-19-18(21)13-22(14-24-19)12-15-7-4-3-5-8-15/h3-5,7-11H,2,6,12-14H2,1H3/p+1