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

Systemtic Name: 6-butyl-3-(2,2-diphenylethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Openeye Name: 6-butyl-3-(2,2-diphenylethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one CAS Name: 6-butyl-3-(2,2-diphenylethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one IUPAC Name: 6-butyl-3-(2,2-diphenylethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Traditional Name: 6-butyl-3-(2,2-diphenylethyl)-10-methyl-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-8-one Formula: C30H32NO3+ MolecularWeight: 454.57998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5)C=C12)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C(C3=C(C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5)C=C12)C

InChI

InChI=1S/C30H31NO3/c1-3-4-11-24-17-28(32)34-30-21(2)29-25(16-26(24)30)18-31(20-33-29)19-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-17,27H,3-4,11,18-20H2,1-2H3/p+1