4-pyridin-1-ium-1-ylbutyl propanoate

Systemtic Name: 4-pyridin-1-ium-1-ylbutyl propanoate Openeye Name: 4-pyridin-1-ium-1-ylbutyl propanoate CAS Name: propanoic acid 4-(1-pyridin-1-iumyl)butyl ester IUPAC Name: 4-pyridin-1-ium-1-ylbutyl propanoate Traditional Name: propionic acid 4-pyridin-1-ium-1-ylbutyl ester Formula: C12H18NO2+ MolecularWeight: 208.27682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCCC[N+]1=CC=CC=C1

Isomeric SMILES

CCC(=O)OCCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C12H18NO2/c1-2-12(14)15-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-11H2,1H3/q+1