(3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)piperidin-1-ium-3-carboxamide Formula: C14H20ClN2O3+ MolecularWeight: 299.7732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCC[NH2+]C2)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H]2CCC[NH2+]C2)Cl)OC

InChI

InChI=1S/C14H19ClN2O3/c1-19-12-7-13(20-2)11(6-10(12)15)17-14(18)9-4-3-5-16-8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,17,18)/p+1/t9-/m0/s1