(2S)-2-bromanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: (2S)-2-bromanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-3-methyl-butanamide CAS Name: (2S)-2-bromo-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-3-methylbutanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-3-methyl-butyramide Formula: C17H26BrN2O+ MolecularWeight: 354.30514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O/c1-13(2)16(18)17(21)19-15-8-10-20(11-9-15)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1