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

Systemtic Name: 5-(3-chlorophenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 5-(3-chlorophenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 5-(3-chlorophenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 5-(3-chlorophenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 5-(3-chlorophenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepin-1-ium Formula: C22H19ClN3O+ MolecularWeight: 376.85876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O/c1-2-27-18-12-10-15(11-13-18)22-24-20-9-4-3-8-19(20)21(25-26-22)16-6-5-7-17(23)14-16/h3-14,25H,2H2,1H3/p+1