2-methyl-3-phenyl-9-(3-propan-2-yloxypropyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one

Systemtic Name: 2-methyl-3-phenyl-9-(3-propan-2-yloxypropyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Openeye Name: 9-(3-isopropoxypropyl)-2-methyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one CAS Name: 2-methyl-3-phenyl-9-(3-propan-2-yloxypropyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one IUPAC Name: 2-methyl-3-phenyl-9-(3-propan-2-yloxypropyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Traditional Name: 9-(3-isopropoxypropyl)-2-methyl-3-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)CCCOC(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)CCCOC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO4/c1-16(2)27-13-7-12-25-14-20-21(28-15-25)11-10-19-23(26)22(17(3)29-24(19)20)18-8-5-4-6-9-18/h4-6,8-11,16H,7,12-15H2,1-3H3/p+1