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

Systemtic Name: 4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]aniline Openeye Name: 4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]aniline CAS Name: 4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]aniline IUPAC Name: 4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]aniline Traditional Name: [4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-1-ium-5-yl]phenyl]amine Formula: C21H18ClN4+ MolecularWeight: 361.84742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N

Isomeric SMILES

CC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N

InChI

InChI=1S/C21H17ClN4/c1-13-2-11-19-18(12-13)20(14-5-9-17(23)10-6-14)25-26-21(24-19)15-3-7-16(22)8-4-15/h2-12,25H,23H2,1H3/p+1