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

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)22)21(25)23-17(15-6-4-3-5-7-15)14-24-8-10-28-11-9-24/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1