4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dihydrobenzo[g]benzothiophen-2-yl)methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4,5-dihydrobenzo[g]benzothiophen-2-yl)methanone Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N2OS/c27-24(26-14-12-25(13-15-26)17-18-6-2-1-3-7-18)22-16-20-11-10-19-8-4-5-9-21(19)23(20)28-22/h1-9,16H,10-15,17H2/p+1