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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c27-23(19-10-7-11-22(16-19)30(28,29)26-14-5-6-15-26)24-17-20-8-1-2-9-21(20)18-25-12-3-4-13-25/h1-2,7-11,16H,3-6,12-15,17-18H2,(H,24,27)/p+1