(3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-3-carboxamide Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C14H19BrN2O2/c1-19-13-5-4-12(15)7-11(13)9-17-6-2-3-10(8-17)14(16)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,16,18)/p+1/t10-/m0/s1