(4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[6-(3-phenylpropyl)-5-thieno[2,3-b]pyrrolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CCCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2CCCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C22H27N3OS/c1-2-23-12-14-24(15-13-23)21(26)20-17-19-10-16-27-22(19)25(20)11-6-9-18-7-4-3-5-8-18/h3-5,7-8,10,16-17H,2,6,9,11-15H2,1H3/p+1