(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(4-hydroxycyclohexyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(4-hydroxycyclohexyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(4-hydroxycyclohexyl)ammonium Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3CCC(CC3)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3CCC(CC3)O)Cl

InChI

InChI=1S/C17H20ClNO3/c1-10-6-16-14(8-15(10)18)11(7-17(21)22-16)9-19-12-2-4-13(20)5-3-12/h6-8,12-13,19-20H,2-5,9H2,1H3/p+1