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

Systemtic Name: 9-[(1R)-1-phenylethyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-[(1R)-1-phenylethyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[(1R)-1-phenylethyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-[(1R)-1-phenylethyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-[(1R)-1-phenylethyl]-4-propyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-7-17-12-21(24)26-22-18(17)10-11-20-19(22)13-23(14-25-20)15(2)16-8-5-4-6-9-16/h4-6,8-12,15H,3,7,13-14H2,1-2H3/p+1/t15-/m1/s1