(2S)-2-(4-bromanylphenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenoxy)propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenoxy)propanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenoxy)propionamide Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O2/c1-16(26-20-9-7-18(22)8-10-20)21(25)23-19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h2-10,16,19H,11-15H2,1H3,(H,23,25)/p+1/t16-/m0/s1