N-tert-butyl-2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)24-20(27)15-25-10-12-26(13-11-25)22(28)19-14-17-9-8-16-6-4-5-7-18(16)21(17)29-19/h4-7,14H,8-13,15H2,1-3H3,(H,24,27)/p+1