1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N2O/c1-4-8-19-11-13-23(14-12-19)16-22(25)21-15-17(2)24(18(21)3)20-9-6-5-7-10-20/h5-7,9-15H,4,8,16H2,1-3H3/q+1