1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C23H29N2OS+ MolecularWeight: 381.55416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

InChI=1S/C23H29N2OS/c1-5-19(6-2)20-9-11-24(12-10-20)16-23(26)22-14-17(3)25(18(22)4)15-21-8-7-13-27-21/h7-14,19H,5-6,15-16H2,1-4H3/q+1