4-[2-(4-ethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[2-(4-ethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline Traditional Name: [4-(7-fluoro-2-p-phenetyl-4H-1,3,4-benzotriazepin-1-ium-5-yl)phenyl]-dimethyl-amine Formula: C24H24FN4O+ MolecularWeight: 403.471963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)F)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)F)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C24H23FN4O/c1-4-30-20-12-7-17(8-13-20)24-26-22-14-9-18(25)15-21(22)23(27-28-24)16-5-10-19(11-6-16)29(2)3/h5-15,27H,4H2,1-3H3/p+1