2-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 2-bromanyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 2-bromo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide CAS Name: 2-bromo-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 2-bromo-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 2-bromo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]benzamide Formula: C21H26BrN2O+ MolecularWeight: 402.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2Br)[NH+]3CCCCC3

InChI

InChI=1S/C21H25BrN2O/c1-16-9-11-17(12-10-16)20(24-13-5-2-6-14-24)15-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,2,5-6,13-15H2,1H3,(H,23,25)/p+1/t20-/m0/s1