[3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylazaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C18H27ClN2O2+2 MolecularWeight: 338.87218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O2/c1-12-6-16-14(8-15(12)19)13(7-17(22)23-16)9-20-10-18(2,3)11-21(4)5/h6-8,20H,9-11H2,1-5H3/p+2