2-oxidanylpropyl(tripentyl)azanium benzoate chloride

Systemtic Name: 2-oxidanylpropyl(tripentyl)azanium benzoate chloride Openeye Name: 2-hydroxypropyl(tripentyl)ammonium benzoate chloride CAS Name: 2-hydroxypropyl(tripentyl)ammonium benzoate chloride IUPAC Name: 2-hydroxypropyl(tripentyl)azanium benzoate chloride Traditional Name: triamyl(2-hydroxypropyl)ammonium benzoate chloride Formula: C25H45ClNO3- MolecularWeight: 443.0827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CCCCC)(CCCCC)CC(C)O.C1=CC=C(C=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CCCCC[N+](CCCCC)(CCCCC)CC(C)O.C1=CC=C(C=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C18H40NO.C7H6O2.ClH/c1-5-8-11-14-19(17-18(4)20,15-12-9-6-2)16-13-10-7-3;8-7(9)6-4-2-1-3-5-6;/h18,20H,5-17H2,1-4H3;1-5H,(H,8,9);1H/q+1;;/p-2