4-(phenylmethyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]piperazine-1-carboxamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c29-24(25-18-21-8-10-22(11-9-21)19-26-12-4-5-13-26)27-14-16-28(17-15-27)32(30,31)20-23-6-2-1-3-7-23/h1-3,6-11H,4-5,12-20H2,(H,25,29)/p+1