4-chloranylbutanoate; ethanoic acid; pyridin-1-ium; hydrochloride

Systemtic Name: 4-chloranylbutanoate; ethanoic acid; pyridin-1-ium; hydrochloride Openeye Name: acetic acid; 4-chlorobutanoate; pyridin-1-ium; hydrochloride CAS Name: acetic acid; 4-chlorobutanoate; pyridin-1-ium; hydrochloride IUPAC Name: acetic acid; 4-chlorobutanoate; pyridin-1-ium; hydrochloride Traditional Name: acetic acid; 4-chlorobutyrate; pyridin-1-ium; hydrochloride Formula: C11H17Cl2NO4 MolecularWeight: 298.16298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N.C4H7ClO2.C2H4O2.ClH/c1-2-4-6-5-3-1;5-3-1-2-4(6)7;1-2(3)4;/h1-5H;1-3H2,(H,6,7);1H3,(H,3,4);1H