5-butylnonan-5-ylazanium benzoate

Systemtic Name: 5-butylnonan-5-ylazanium benzoate Openeye Name: 1,1-dibutylpentylammonium benzoate CAS Name: 5-butylnonan-5-ylammonium benzoate IUPAC Name: 5-butylnonan-5-ylazanium benzoate Traditional Name: 1,1-dibutylpentylammonium benzoate Formula: C20H35NO2 MolecularWeight: 321.4974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N.C7H6O2/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;8-7(9)6-4-2-1-3-5-6/h4-12,14H2,1-3H3;1-5H,(H,8,9)