5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 5-(4-chlorophenyl)-7-methoxy-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C21H17ClN3O+ MolecularWeight: 362.83218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O/c1-26-17-11-12-19-18(13-17)20(14-7-9-16(22)10-8-14)24-25-21(23-19)15-5-3-2-4-6-15/h2-13,24H,1H3/p+1