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

Systemtic Name: (2S)-N-(4-chloranyl-2,5-dimethoxy-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(4-chloro-2,5-dimethoxy-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(4-chloro-2,5-dimethoxy-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H18ClN2O3+ MolecularWeight: 285.74662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCC[NH2+]2)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3/c1-18-11-7-10(12(19-2)6-8(11)14)16-13(17)9-4-3-5-15-9/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)/p+1/t9-/m0/s1