(2R,4S)-4-oxidanyl-N-[2-(propylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-4-oxidanyl-N-[2-(propylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-[2-(propylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-[2-[oxo(propylamino)methyl]phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-[2-(propylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-[2-(propylcarbamoyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CC(C[NH2+]2)O

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)[C@H]2C[C@@H](C[NH2+]2)O

InChI

InChI=1S/C15H21N3O3/c1-2-7-16-14(20)11-5-3-4-6-12(11)18-15(21)13-8-10(19)9-17-13/h3-6,10,13,17,19H,2,7-9H2,1H3,(H,16,20)(H,18,21)/p+1/t10-,13+/m0/s1