2-[5-(4-ethylpiperazin-4-ium-1-yl)carbonylthieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone

Systemtic Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)carbonylthieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Openeye Name: 2-[5-(4-ethylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone CAS Name: 2-[5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-4-thieno[3,2-b]pyrrolyl]-1-phenylethanone IUPAC Name: 2-[5-(4-ethylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenylethanone Traditional Name: 2-[5-(4-ethylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC(=O)C4=CC=CC=C4)C=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CC(=O)C4=CC=CC=C4)C=CS3

InChI

InChI=1S/C21H23N3O2S/c1-2-22-9-11-23(12-10-22)21(26)18-14-20-17(8-13-27-20)24(18)15-19(25)16-6-4-3-5-7-16/h3-8,13-14H,2,9-12,15H2,1H3/p+1