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

Systemtic Name: 10-methyl-6-phenyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 10-methyl-6-phenyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 10-methyl-6-phenyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 10-methyl-6-phenyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 10-methyl-6-phenyl-3-[(2R)-2-phenylpropyl]-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C27H26NO3+ MolecularWeight: 412.50024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1OC[NH+](C3)CC(C)C4=CC=CC=C4)C(=CC(=O)O2)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC3=C1OC[NH+](C3)C[C@H](C)C4=CC=CC=C4)C(=CC(=O)O2)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO3/c1-18(20-9-5-3-6-10-20)15-28-16-22-13-24-23(21-11-7-4-8-12-21)14-25(29)31-27(24)19(2)26(22)30-17-28/h3-14,18H,15-17H2,1-2H3/p+1/t18-/m0/s1