4-bromanyl-3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide Formula: C22H28BrN2O4+ MolecularWeight: 464.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C22H27BrN2O4/c1-15-4-6-16(7-5-15)18(14-25-8-10-29-11-9-25)24-22(26)17-12-19(27-2)21(23)20(13-17)28-3/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)/p+1/t18-/m1/s1