3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-pyridin-1-iumylmethyl)-2-propenamide IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(pyridin-1-ium-3-ylmethyl)prop-2-enamide Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(pyridin-1-ium-3-ylmethyl)acrylamide Formula: C23H22BrN2O3+ MolecularWeight: 454.33638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=C[NH+]=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=C[NH+]=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O3/c1-28-21-13-18(9-10-22(27)26-15-19-8-5-11-25-14-19)12-20(24)23(21)29-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,26,27)/p+1