N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N4O4S2+2 MolecularWeight: 480.64388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H30N4O4S2/c27-21(18-24-7-9-26(10-8-24)32(28,29)22-2-1-15-31-22)23-16-19-3-5-20(6-4-19)17-25-11-13-30-14-12-25/h1-6,15H,7-14,16-18H2,(H,23,27)/p+2