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

Systemtic Name: 4-bromanyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-bromo-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-bromo-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C18H22BrN2O3+ MolecularWeight: 394.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C18H21BrN2O3/c1-13-2-7-17(24-13)16(21-8-10-23-11-9-21)12-20-18(22)14-3-5-15(19)6-4-14/h2-7,16H,8-12H2,1H3,(H,20,22)/p+1/t16-/m0/s1