(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H20BrN2O+ MolecularWeight: 312.2254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCCC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCC2)Br

InChI

InChI=1S/C14H19BrN2O/c1-10-5-6-13(12(15)9-10)16-14(18)11(2)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,18)/p+1/t11-/m0/s1