(Z)-azanyl-[2-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)ethylidene]-pyridin-4-yl-azanium hydrochloride

Systemtic Name: (Z)-azanyl-[2-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)ethylidene]-pyridin-4-yl-azanium hydrochloride Openeye Name: (Z)-amino-[2-(4-benzyloxy-2-bromo-5-methoxy-phenyl)ethylidene]-(4-pyridyl)ammonium hydrochloride CAS Name: (Z)-amino-[2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethylidene]-pyridin-4-ylammonium hydrochloride IUPAC Name: (Z)-amino-[2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethylidene]-pyridin-4-ylazanium hydrochloride Traditional Name: (Z)-amino-[2-(4-benzoxy-2-bromo-5-methoxy-phenyl)ethylidene]-(4-pyridyl)ammonium hydrochloride Formula: C21H22BrClN3O2+ MolecularWeight: 463.77528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC=[N+](C2=CC=NC=C2)N)Br)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C/C=[N+](/C2=CC=NC=C2)\N)Br)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21BrN3O2.ClH/c1-26-20-13-17(9-12-25(23)18-7-10-24-11-8-18)19(22)14-21(20)27-15-16-5-3-2-4-6-16;/h2-8,10-14H,9,15,23H2,1H3;1H/q+1;/b25-12-;