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

Systemtic Name: 2-[5-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylthieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Openeye Name: 2-[5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone CAS Name: 2-[5-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-4-thieno[3,2-b]pyrrolyl]-1-phenylethanone IUPAC Name: 2-[5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenylethanone Traditional Name: 2-[5-(4-cyclohexylpiperazin-4-ium-1-carbonyl)thieno[3,2-b]pyrrol-4-yl]-1-phenyl-ethanone Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC(=O)C5=CC=CC=C5)C=CS4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC(=O)C5=CC=CC=C5)C=CS4

InChI

InChI=1S/C25H29N3O2S/c29-23(19-7-3-1-4-8-19)18-28-21-11-16-31-24(21)17-22(28)25(30)27-14-12-26(13-15-27)20-9-5-2-6-10-20/h1,3-4,7-8,11,16-17,20H,2,5-6,9-10,12-15,18H2/p+1