2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C22H30ClN4O3S2+ MolecularWeight: 498.0816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H29ClN4O3S2/c23-21-8-7-19(31-21)16-25-11-13-26(14-12-25)17-22(28)24-18-5-4-6-20(15-18)32(29,30)27-9-2-1-3-10-27/h4-8,15H,1-3,9-14,16-17H2,(H,24,28)/p+1