1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N2O/c1-4-12-25-18(2)15-22(19(25)3)23(26)17-24-13-10-21(11-14-24)16-20-8-6-5-7-9-20/h5-11,13-15H,4,12,16-17H2,1-3H3/q+1