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

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-tripropyl-azanium benzoate hydrochloride Openeye Name: (3-chloro-2-hydroxy-propyl)-tripropyl-ammonium benzoate hydrochloride CAS Name: (3-chloro-2-hydroxypropyl)-tripropylammonium benzoate hydrochloride IUPAC Name: (3-chloro-2-hydroxypropyl)-tripropylazanium benzoate hydrochloride Traditional Name: (3-chloro-2-hydroxy-propyl)-tripropyl-ammonium benzoate hydrochloride Formula: C19H33Cl2NO3 MolecularWeight: 394.37622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27ClNO.C7H6O2.ClH/c1-4-7-14(8-5-2,9-6-3)11-12(15)10-13;8-7(9)6-4-2-1-3-5-6;/h12,15H,4-11H2,1-3H3;1-5H,(H,8,9);1H/q+1;;/p-1