1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C21H29N2O2+ MolecularWeight: 341.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=C(N(C(=C2)C)CC3CCCO3)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=C(N(C(=C2)C)C[C@H]3CCCO3)C

InChI

InChI=1S/C21H29N2O2/c1-5-18-9-8-15(2)22(12-18)14-21(24)20-11-16(3)23(17(20)4)13-19-7-6-10-25-19/h8-9,11-12,19H,5-7,10,13-14H2,1-4H3/q+1/t19-/m1/s1