[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl]-trimethyl-azanium

Systemtic Name: [4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenyl]-trimethyl-azanium Openeye Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl]-trimethyl-ammonium CAS Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenyl]-trimethylammonium IUPAC Name: [4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenyl]-trimethylazanium Traditional Name: [4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenyl]-trimethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](C)(C)C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](C)(C)C)C(=O)C1)C

InChI

InChI=1S/C21H26N3O2/c1-21(2)10-16(25)19-17(11-21)26-20(23)15(12-22)18(19)13-6-8-14(9-7-13)24(3,4)5/h6-9,18H,10-11,23H2,1-5H3/q+1