N-(3-methylsulfonylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O4S/c1-28(26,27)17-6-4-5-16(13-17)20-18(24)14-21-9-11-22(12-10-21)15-19(25)23-7-2-3-8-23/h4-6,13H,2-3,7-12,14-15H2,1H3,(H,20,24)/p+1