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

Systemtic Name: (6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-cyclopentyl-azanium Openeye Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-cyclopentyl-ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-cyclopentylammonium IUPAC Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-cyclopentylazanium Traditional Name: (6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-cyclopentyl-ammonium Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CCCC3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CCCC3)C

InChI

InChI=1S/C17H20ClNO3/c1-9-10(2)17(21)22-16-12(9)7-14(18)15(20)13(16)8-19-11-5-3-4-6-11/h7,11,19-20H,3-6,8H2,1-2H3/p+1