1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-phenylpyridin-1-ium-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3)C

InChI

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