2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5-pyrrolidinosulfonyl-benzamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27N3O4S/c1-15-4-5-16(26(23,24)21-7-2-3-8-21)14-17(15)18(22)19-6-9-20-10-12-25-13-11-20/h4-5,14H,2-3,6-13H2,1H3,(H,19,22)/p+1