3-methoxypropyl-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl]azanium

Systemtic Name: 3-methoxypropyl-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl]azanium Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-(3-methoxypropyl)ammonium CAS Name: [7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl-(3-methoxypropyl)ammonium IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(3-methoxypropyl)azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-(3-methoxypropyl)ammonium Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCOC)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCOC)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-15-17-9-10-20(24)19(14-23-11-6-12-26-2)21(17)27-22(25)18(15)13-16-7-4-3-5-8-16/h3-5,7-10,23-24H,6,11-14H2,1-2H3/p+1