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

Systemtic Name: 4-[7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]-dimethyl-amine Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H26N4O2/c1-5-31-21-14-15-23-22(16-21)24(17-6-10-19(11-7-17)29(2)3)27-28-25(26-23)18-8-12-20(30-4)13-9-18/h6-16,27H,5H2,1-4H3/p+1