(3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-carboxamide Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O3/c1-20-12-6-9(5-11(15)13(12)18)7-17-4-2-3-10(8-17)14(16)19/h5-6,10,18H,2-4,7-8H2,1H3,(H2,16,19)/p+1/t10-/m0/s1