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

Systemtic Name: 4-[2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline Traditional Name: dimethyl-[4-(7-methyl-2-p-phenetyl-4H-1,3,4-benzotriazepin-1-ium-5-yl)phenyl]amine Formula: C25H27N4O+ MolecularWeight: 399.50808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O/c1-5-30-21-13-9-19(10-14-21)25-26-23-15-6-17(2)16-22(23)24(27-28-25)18-7-11-20(12-8-18)29(3)4/h6-16,27H,5H2,1-4H3/p+1