3-bromanyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-bromo-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-bromo-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-bromo-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C23H29BrN3O+ MolecularWeight: 443.39986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C3=CC(=CC=C3)Br)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C3=CC(=CC=C3)Br)[NH+]4CCCCC4

InChI

InChI=1S/C23H28BrN3O/c1-26-13-10-18-14-17(8-9-21(18)26)22(27-11-3-2-4-12-27)16-25-23(28)19-6-5-7-20(24)15-19/h5-9,14-15,22H,2-4,10-13,16H2,1H3,(H,25,28)/p+1/t22-/m0/s1