1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Formula: C22H21N2O2+ MolecularWeight: 345.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N2O2/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/h3-13H,14-15H2,1-2H3/q+1