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

Systemtic Name: 4-butyl-9-[(1R)-1-phenylethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-9-[(1R)-1-phenylethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-9-[(1R)-1-phenylethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-9-[(1R)-1-phenylethyl]-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-9-[(1R)-1-phenylethyl]-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)C(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-3-4-8-18-13-22(25)27-23-19(18)11-12-21-20(23)14-24(15-26-21)16(2)17-9-6-5-7-10-17/h5-7,9-13,16H,3-4,8,14-15H2,1-2H3/p+1/t16-/m1/s1