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

Systemtic Name: 10-methyl-3-[(1R)-1-phenylethyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-3-[(1R)-1-phenylethyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-3-[(1R)-1-phenylethyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-3-[(1R)-1-phenylethyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-3-[(1R)-1-phenylethyl]-6-propyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)C(C)C4=CC=CC=C4)C=C12)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)[C@H](C)C4=CC=CC=C4)C=C12)C

InChI

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