2-(4-methoxyphenyl)-5-phenyl-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-methoxyphenyl)-5-phenyl-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-isopropyl-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-methoxyphenyl)-5-phenyl-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-methoxyphenyl)-5-phenyl-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-isopropyl-2-(4-methoxyphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C24H24N3O+ MolecularWeight: 370.46686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O/c1-16(2)19-11-14-22-21(15-19)23(17-7-5-4-6-8-17)26-27-24(25-22)18-9-12-20(28-3)13-10-18/h4-16,26H,1-3H3/p+1