2-bromanyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-methoxy-benzamide Formula: C20H23BrFN2O3+ MolecularWeight: 438.310623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN2O3/c1-26-16-6-7-18(21)17(12-16)20(25)23-13-19(24-8-10-27-11-9-24)14-2-4-15(22)5-3-14/h2-7,12,19H,8-11,13H2,1H3,(H,23,25)/p+1/t19-/m1/s1