butyl 1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: butyl 1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: butyl 1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(2-acetamido-1-oxo-3-phenylpropyl)-1-pyrrolidin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl 1-(2-acetamido-3-phenylpropanoyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(2-acetamido-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylic acid butyl ester Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)[N+]1(CCCC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCCOC(=O)[N+]1(CCCC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C20H28N2O4/c1-3-4-14-26-20(25)22(12-8-9-13-22)19(24)18(21-16(2)23)15-17-10-6-5-7-11-17/h5-7,10-11,18H,3-4,8-9,12-15H2,1-2H3/p+1