butan-2-ylazanium; 2-(butan-2-ylcarbamoyl)benzoate

Systemtic Name: butan-2-ylazanium; 2-(butan-2-ylcarbamoyl)benzoate Openeye Name: sec-butylammonium; 2-(sec-butylcarbamoyl)benzoate CAS Name: 2-[(butan-2-ylamino)-oxomethyl]benzoate; butan-2-ylammonium IUPAC Name: butan-2-ylazanium; 2-(butan-2-ylcarbamoyl)benzoate Traditional Name: sec-butylammonium; 2-(sec-butylcarbamoyl)benzoate Formula: C16H26N2O3 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH3+].CCC(C)NC(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCC(C)[NH3+].CCC(C)NC(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H15NO3.C4H11N/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(15)16;1-3-4(2)5/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16);4H,3,5H2,1-2H3