butanoate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium

Systemtic Name: butanoate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium Openeye Name: butanoate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium CAS Name: butanoate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium IUPAC Name: butanoate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium Traditional Name: butyrate; 1-ethyl-1-(4-phenylbutyl)pyrrolidin-1-ium Formula: C20H33NO2 MolecularWeight: 319.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC[N+]1(CCCC1)CCCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)[O-].CC[N+]1(CCCC1)CCCCC2=CC=CC=C2

InChI

InChI=1S/C16H26N.C4H8O2/c1-2-17(14-8-9-15-17)13-7-6-12-16-10-4-3-5-11-16;1-2-3-4(5)6/h3-5,10-11H,2,6-9,12-15H2,1H3;2-3H2,1H3,(H,5,6)/q+1;/p-1