[3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-phenylpropyl)azanium Openeye Name: [7-hydroxy-3-(3-methoxy-3-oxo-propyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(3-phenylpropyl)ammonium CAS Name: [7-hydroxy-3-(3-methoxy-3-oxopropyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [7-hydroxy-3-(3-methoxy-3-oxopropyl)-4-methyl-2-oxochromen-8-yl]methyl-(3-phenylpropyl)azanium Traditional Name: [7-hydroxy-2-keto-3-(3-keto-3-methoxy-propyl)-4-methyl-chromen-8-yl]methyl-(3-phenylpropyl)ammonium Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCC3=CC=CC=C3)O)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCC3=CC=CC=C3)O)CCC(=O)OC

InChI

InChI=1S/C24H27NO5/c1-16-18-10-12-21(26)20(15-25-14-6-9-17-7-4-3-5-8-17)23(18)30-24(28)19(16)11-13-22(27)29-2/h3-5,7-8,10,12,25-26H,6,9,11,13-15H2,1-2H3/p+1