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

Systemtic Name: 2-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-11-12-23(32(30,31)28-15-7-8-16-28)17-24(20)25(29)26-18-21-9-3-4-10-22(21)19-27-13-5-2-6-14-27/h3-4,9-12,17H,2,5-8,13-16,18-19H2,1H3,(H,26,29)/p+1