carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-[3-(trifluoromethyl)phenyl]azanium

Systemtic Name: carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-[3-(trifluoromethyl)phenyl]azanium Openeye Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-[3-(trifluoromethyl)phenyl]ammonium CAS Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-[3-(trifluoromethyl)phenyl]azanium Traditional Name: amidino-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-[3-(trifluoromethyl)phenyl]ammonium Formula: C21H19F3N5O2+ MolecularWeight: 430.40307

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC(=C3)C(F)(F)F)C(=N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=CC(=C3)C(F)(F)F)C(=N)N)O)C

InChI

InChI=1S/C21H19F3N5O2/c1-20(2)18(30)17(15-8-12(10-25)6-7-16(15)31-20)29(11-26,19(27)28)14-5-3-4-13(9-14)21(22,23)24/h3-9,17-18,30H,1-2H3,(H3,27,28)/q+1