butane; methylazanium; benzoate

Systemtic Name: butane; methylazanium; benzoate Openeye Name: butane; methylammonium; benzoate CAS Name: butane; methylammonium; benzoate IUPAC Name: butane; methylazanium; benzoate Traditional Name: methylammonium; n-butane; benzoate Formula: C12H21NO2 MolecularWeight: 211.30064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C[NH3+].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCC.C[NH3+].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C4H10.CH5N/c8-7(9)6-4-2-1-3-5-6;1-3-4-2;1-2/h1-5H,(H,8,9);3-4H2,1-2H3;2H2,1H3