5-(4-ethoxyphenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-ethoxyphenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-methoxy-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-5-p-phenetyl-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Formula: C22H21N4O2+ MolecularWeight: 373.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=C[NH+]=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=C[NH+]=CC=C4)OC

InChI

InChI=1S/C22H20N4O2/c1-3-28-17-8-6-15(7-9-17)21-19-13-18(27-2)10-11-20(19)24-22(26-25-21)16-5-4-12-23-14-16/h4-14,25H,3H2,1-2H3/p+1