1-methyl-2-[(Z)-oct-2-en-3-yl]pyridin-1-ium; 2-(trimethylazaniumyl)ethanoate; hydrochloride

Systemtic Name: 1-methyl-2-[(Z)-oct-2-en-3-yl]pyridin-1-ium; 2-(trimethylazaniumyl)ethanoate; hydrochloride Openeye Name: 2-[(1Z)-1-ethylidenehexyl]-1-methyl-pyridin-1-ium; 2-(trimethylammonio)acetate; hydrochloride CAS Name: 1-methyl-2-[(Z)-oct-2-en-3-yl]pyridin-1-ium; 2-(trimethylammonio)acetate; hydrochloride IUPAC Name: 1-methyl-2-[(Z)-oct-2-en-3-yl]pyridin-1-ium; 2-(trimethylazaniumyl)acetate; hydrochloride Traditional Name: 2-[(Z)-1-amylprop-1-enyl]-1-methyl-pyridin-1-ium; 2-(trimethylammonio)acetate; hydrochloride Formula: C19H34ClN2O2+ MolecularWeight: 357.93846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC)C1=CC=CC=[N+]1C.C[N+](C)(C)CC(=O)[O-].Cl

Isomeric SMILES

CCCCC/C(=C/C)/C1=CC=CC=[N+]1C.C[N+](C)(C)CC(=O)[O-].Cl

InChI

InChI=1S/C14H22N.C5H11NO2.ClH/c1-4-6-7-10-13(5-2)14-11-8-9-12-15(14)3;1-6(2,3)4-5(7)8;/h5,8-9,11-12H,4,6-7,10H2,1-3H3;4H2,1-3H3;1H/q+1;;/b13-5-;;