2-chloranyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C24H31ClN3O3S+ MolecularWeight: 477.03924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C24H30ClN3O3S/c25-23-11-10-21(32(30,31)28-14-6-7-15-28)16-22(23)24(29)26-17-19-8-2-3-9-20(19)18-27-12-4-1-5-13-27/h2-3,8-11,16H,1,4-7,12-15,17-18H2,(H,26,29)/p+1