1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H22N2O2S/c1-15-13-19(20(24)14-26-21-11-7-8-12-22(21)25)17(3)23(15)16(2)18-9-5-4-6-10-18/h4-13,16H,14H2,1-3H3/t16-/m1/s1