(4-cyclopentylpiperazin-4-ium-1-yl)-[4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[4-(phenylmethyl)thieno[3,2-b]pyrrol-5-yl]methanone Openeye Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-4-ium-1-yl)methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[4-(phenylmethyl)-5-thieno[3,2-b]pyrrolyl]methanone IUPAC Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclopentylpiperazin-4-ium-1-yl)methanone Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4

InChI

InChI=1S/C23H27N3OS/c27-23(25-13-11-24(12-14-25)19-8-4-5-9-19)21-16-22-20(10-15-28-22)26(21)17-18-6-2-1-3-7-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14,17H2/p+1