7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-methoxy-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-methoxy-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-methoxy-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C20H18N3O2S+ MolecularWeight: 364.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=NN2)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=NN2)C4=CC=CS4)OC

InChI

InChI=1S/C20H17N3O2S/c1-24-14-7-5-13(6-8-14)19-16-12-15(25-2)9-10-17(16)21-20(23-22-19)18-4-3-11-26-18/h3-12,22H,1-2H3/p+1