6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one

Systemtic Name: 6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-10-methyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C25H30NO3+ MolecularWeight: 392.5106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC(C)C4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)C[C@H](C)C4=CC=CC=C4)C=C12)C

InChI

InChI=1S/C25H29NO3/c1-4-5-9-20-13-23(27)29-25-18(3)24-21(12-22(20)25)15-26(16-28-24)14-17(2)19-10-7-6-8-11-19/h6-8,10-13,17H,4-5,9,14-16H2,1-3H3/p+1/t17-/m0/s1