(3S)-N-(4-bromanyl-2,6-dimethyl-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2,6-dimethyl-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2,6-dimethyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(4-bromo-2,6-dimethylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2,6-dimethyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C14H20BrN2O+ MolecularWeight: 312.2254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CCC[NH2+]C2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@H]2CCC[NH2+]C2)C)Br

InChI

InChI=1S/C14H19BrN2O/c1-9-6-12(15)7-10(2)13(9)17-14(18)11-4-3-5-16-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)/p+1/t11-/m0/s1