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

Systemtic Name: 7-methoxy-5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-methoxy-5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-(4-methoxyphenyl)-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Formula: C21H19N4O2+ MolecularWeight: 359.40116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c1-26-16-7-5-14(6-8-16)20-18-12-17(27-2)9-10-19(18)23-21(25-24-20)15-4-3-11-22-13-15/h3-13,24H,1-2H3/p+1