azanium 5-(1-acetamido-2-ethyl-butyl)-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylate

Systemtic Name: azanium 5-(1-acetamido-2-ethyl-butyl)-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylate Openeye Name: ammonium 5-(1-acetamido-2-ethyl-butyl)-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylate CAS Name: ammonium 5-(1-acetamido-2-ethylbutyl)-4-[(E)-prop-1-enyl]-2-pyrrolidinecarboxylate IUPAC Name: azanium 5-(1-acetamido-2-ethylbutyl)-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylate Traditional Name: ammonium 5-(1-acetamido-2-ethyl-butyl)-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylate Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C(CC(N1)C(=O)[O-])C=CC)NC(=O)C.[NH4+]

Isomeric SMILES

CCC(CC)C(C1C(CC(N1)C(=O)[O-])/C=C/C)NC(=O)C.[NH4+]

InChI

InChI=1S/C16H28N2O3.H3N/c1-5-8-12-9-13(16(20)21)18-15(12)14(17-10(4)19)11(6-2)7-3;/h5,8,11-15,18H,6-7,9H2,1-4H3,(H,17,19)(H,20,21);1H3/b8-5+;