8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 8-methyl-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C21H18N3+ MolecularWeight: 312.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=NNC(=C2C=C1)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=[NH+]C(=NNC(=C2C=C1)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)24-23-20(18)16-8-4-2-5-9-16/h2-14,23H,1H3/p+1