4-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C23H29ClN3O3S+ MolecularWeight: 463.01266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28ClN3O3S/c24-21-10-9-18(15-22(21)31(29,30)27-13-5-6-14-27)23(28)25-16-19-7-1-2-8-20(19)17-26-11-3-4-12-26/h1-2,7-10,15H,3-6,11-14,16-17H2,(H,25,28)/p+1