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

Systemtic Name: cyclopentyl-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium Openeye Name: cyclopentyl-[(7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl]ammonium CAS Name: cyclopentyl-[(7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl]ammonium IUPAC Name: cyclopentyl-[(7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl]azanium Traditional Name: cyclopentyl-[(7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl]ammonium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CCCC3)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CCCC3)O)C

InChI

InChI=1S/C17H21NO3/c1-10-11(2)17(20)21-16-13(10)7-8-15(19)14(16)9-18-12-5-3-4-6-12/h7-8,12,18-19H,3-6,9H2,1-2H3/p+1