(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methoxypropyl)azanium

Systemtic Name: (3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methoxypropyl)azanium Openeye Name: (7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-(3-methoxypropyl)ammonium CAS Name: (7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-(3-methoxypropyl)azanium Traditional Name: (7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-(3-methoxypropyl)ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-10-11(2)16(19)21-15-12(10)5-6-14(18)13(15)9-17-7-4-8-20-3/h5-6,17-18H,4,7-9H2,1-3H3/p+1