N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-pyrrolidinosulfonyl-benzamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C19H29N3O4S/c1-19(2,21-10-12-26-13-11-21)15-20-18(23)16-6-5-7-17(14-16)27(24,25)22-8-3-4-9-22/h5-7,14H,3-4,8-13,15H2,1-2H3,(H,20,23)/p+1