(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methoxypropyl)azanium

Systemtic Name: (6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-methoxypropyl)azanium Openeye Name: (6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-(3-methoxypropyl)ammonium CAS Name: (6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (6-chloro-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(3-methoxypropyl)azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-(3-methoxypropyl)ammonium Formula: C15H19ClNO4+ MolecularWeight: 312.76866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCCOC

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCCOC

InChI

InChI=1S/C15H18ClNO4/c1-9-6-13(18)21-15-10(9)7-12(16)14(19)11(15)8-17-4-3-5-20-2/h6-7,17,19H,3-5,8H2,1-2H3/p+1