5-(3-chlorophenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC(=CC=C4)Cl

InChI

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