N-cyclopropyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(4-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C20H28N4O4S/c25-19(21-17-5-6-17)15-22-11-13-23(14-12-22)20(26)16-3-7-18(8-4-16)29(27,28)24-9-1-2-10-24/h3-4,7-8,17H,1-2,5-6,9-15H2,(H,21,25)/p+1