(2R,4S)-N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(3-chloro-4-methoxy-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(3-chloro-4-methoxyphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(3-chloro-4-methoxy-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H16ClN2O3+ MolecularWeight: 271.72004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC(C[NH2+]2)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H]2C[C@@H](C[NH2+]2)O)Cl

InChI

InChI=1S/C12H15ClN2O3/c1-18-11-3-2-7(4-9(11)13)15-12(17)10-5-8(16)6-14-10/h2-4,8,10,14,16H,5-6H2,1H3,(H,15,17)/p+1/t8-,10+/m0/s1