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

Systemtic Name: (4-cyclohexylpiperazin-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-cyclohexylpiperazin-4-ium-1-yl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[4-(phenylmethyl)-5-thieno[3,2-b]pyrrolyl]methanone IUPAC Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-benzylthieno[3,2-b]pyrrol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4

InChI

InChI=1S/C24H29N3OS/c28-24(26-14-12-25(13-15-26)20-9-5-2-6-10-20)22-17-23-21(11-16-29-23)27(22)18-19-7-3-1-4-8-19/h1,3-4,7-8,11,16-17,20H,2,5-6,9-10,12-15,18H2/p+1