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

Systemtic Name: 2,5-bis(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-isopropyl-2,5-bis(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2,5-bis(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2,5-bis(4-methoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-isopropyl-2,5-bis(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-16(2)19-9-14-23-22(15-19)24(17-5-10-20(29-3)11-6-17)27-28-25(26-23)18-7-12-21(30-4)13-8-18/h5-16,27H,1-4H3/p+1