1-cyano-3-phenyl-2-(propylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 1-cyano-3-phenyl-2-(propylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-cyano-3-phenyl-2-(propylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-cyano-2-[oxo(propylamino)methyl]-3-phenyl-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-cyano-3-phenyl-2-(propylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-cyano-3-phenyl-2-(propylcarbamoyl)pyrrolidin-1-ium-1-carboxylic acid Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1C(CC[N+]1(C#N)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C1C(CC[N+]1(C#N)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-2-9-18-15(20)14-13(12-6-4-3-5-7-12)8-10-19(14,11-17)16(21)22/h3-7,13-14H,2,8-10H2,1H3,(H-,18,20,21,22)/p+1