morpholin-4-yl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]methanone

Systemtic Name: morpholin-4-yl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophen-2-yl]methanone Openeye Name: [3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-morpholino-methanone CAS Name: 4-morpholinyl-[3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenyl]methanone IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-morpholin-4-ylmethanone Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-morpholino-methanone Formula: C20H26N3O4S2+ MolecularWeight: 436.56814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C20H25N3O4S2/c24-20(22-11-13-27-14-12-22)19-18(6-15-28-19)29(25,26)23-9-7-21(8-10-23)16-17-4-2-1-3-5-17/h1-6,15H,7-14,16H2/p+1