3-bromanyl-5-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-phenylmethoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-3-bromo-5-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 3-bromo-5-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-4-phenylmethoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-3-bromo-5-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-26-19-14-17(21(25)23-7-8-24-9-11-27-12-10-24)13-18(22)20(19)28-15-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15H2,1H3,(H,23,25)/p+1