N-(3-phenylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-phenylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-phenylpropyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-phenylpropyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-phenylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-phenylpropyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c23-18(20-10-4-8-17-6-2-1-3-7-17)16-21-11-13-22(14-12-21)27(24,25)19-9-5-15-26-19/h1-3,5-7,9,15H,4,8,10-14,16H2,(H,20,23)/p+1