3-bromanyl-5-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-3-bromo-5-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 3-bromo-5-methoxy-N-[3-(4-morpholin-4-iumyl)propyl]-4-phenylmethoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-3-bromo-5-methoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H28BrN2O4+ MolecularWeight: 464.37272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN2O4/c1-27-20-15-18(22(26)24-8-5-9-25-10-12-28-13-11-25)14-19(23)21(20)29-16-17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13,16H2,1H3,(H,24,26)/p+1