(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acrylamide Formula: C18H26BrN2O3+ MolecularWeight: 398.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C=CC1=C(C=CC(=C1)Br)OC)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC)[NH+]2CCOCC2

InChI

InChI=1S/C18H25BrN2O3/c1-18(2,21-8-10-24-11-9-21)13-20-17(22)7-4-14-12-15(19)5-6-16(14)23-3/h4-7,12H,8-11,13H2,1-3H3,(H,20,22)/p+1/b7-4+