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

Systemtic Name: 2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-19-10-11-22(31(29,30)27-14-6-7-15-27)16-23(19)24(28)25-17-20-8-2-3-9-21(20)18-26-12-4-5-13-26/h2-3,8-11,16H,4-7,12-15,17-18H2,1H3,(H,25,28)/p+1