3-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-4-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-4-ium-1-yl]ethylsulfonyl]propionamide Formula: C20H27ClN3O3S2+ MolecularWeight: 457.02968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3Cl)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C20H26ClN3O3S2/c21-18-4-2-1-3-17(18)19-6-5-16(28-19)15-24-10-8-23(9-11-24)12-14-29(26,27)13-7-20(22)25/h1-6H,7-15H2,(H2,22,25)/p+1