2-oxidanylpropyl(tripentyl)azanium benzoate hydrochloride

Systemtic Name: 2-oxidanylpropyl(tripentyl)azanium benzoate hydrochloride Openeye Name: 2-hydroxypropyl(tripentyl)ammonium benzoate hydrochloride CAS Name: 2-hydroxypropyl(tripentyl)ammonium benzoate hydrochloride IUPAC Name: 2-hydroxypropyl(tripentyl)azanium benzoate hydrochloride Traditional Name: triamyl(2-hydroxypropyl)ammonium benzoate hydrochloride Formula: C25H46ClNO3 MolecularWeight: 444.09064

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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-1