4-bromanyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]propyl]benzamide Formula: C23H29BrN3O4+ MolecularWeight: 491.39806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4/c1-30-20-8-4-17(5-9-20)21(27-12-14-31-15-13-27)16-26-22(28)10-11-25-23(29)18-2-6-19(24)7-3-18/h2-9,21H,10-16H2,1H3,(H,25,29)(H,26,28)/p+1/t21-/m0/s1