N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O3S/c28-24(22-10-12-23(13-11-22)31(29,30)27-16-4-5-17-27)25-18-20-6-8-21(9-7-20)19-26-14-2-1-3-15-26/h6-13H,1-5,14-19H2,(H,25,28)/p+1