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

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N2O2/c1-16-12-21(17(2)24(16)14-20-8-5-11-26-20)22(25)15-23-10-9-18-6-3-4-7-19(18)13-23/h3-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-2H3/q+1/t20-/m1/s1