(3-chloranyl-2-oxidanyl-propyl)-tripentyl-azanium benzoate hydrochloride

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-tripentyl-azanium benzoate hydrochloride Openeye Name: (3-chloro-2-hydroxy-propyl)-tripentyl-ammonium benzoate hydrochloride CAS Name: (3-chloro-2-hydroxypropyl)-tripentylammonium benzoate hydrochloride IUPAC Name: (3-chloro-2-hydroxypropyl)-tripentylazanium benzoate hydrochloride Traditional Name: triamyl-(3-chloro-2-hydroxy-propyl)ammonium benzoate hydrochloride Formula: C25H45Cl2NO3 MolecularWeight: 478.5357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39ClNO.C7H6O2.ClH/c1-4-7-10-13-20(14-11-8-5-2,15-12-9-6-3)17-18(21)16-19;8-7(9)6-4-2-1-3-5-6;/h18,21H,4-17H2,1-3H3;1-5H,(H,8,9);1H/q+1;;/p-1