2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[2-(propyliminomethyl)phenoxy]butanoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[2-(propyliminomethyl)phenoxy]butanoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[2-(propyliminomethyl)phenoxy]butanoate CAS Name: 4-[2-(propyliminomethyl)phenoxy]butanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[2-(propyliminomethyl)phenoxy]butanoate Traditional Name: 4-[2-(propyliminomethyl)phenoxy]butyric acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN=CC1=CC=CC=C1OCCCC(=O)OCCN2C=C[N+](=C2)C

Isomeric SMILES

CCCN=CC1=CC=CC=C1OCCCC(=O)OCCN2C=C[N+](=C2)C

InChI

InChI=1S/C20H28N3O3/c1-3-10-21-16-18-7-4-5-8-19(18)25-14-6-9-20(24)26-15-13-23-12-11-22(2)17-23/h4-5,7-8,11-12,16-17H,3,6,9-10,13-15H2,1-2H3/q+1