3-bromanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methoxy-benzamide Formula: C20H23BrFN2O3+ MolecularWeight: 438.310623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3)Br

InChI

InChI=1S/C20H22BrFN2O3/c1-26-19-7-4-15(12-17(19)21)20(25)23-13-18(24-8-10-27-11-9-24)14-2-5-16(22)6-3-14/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)/p+1/t18-/m0/s1