4-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[3-(4-morpholin-4-iumyl)propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H27ClN3O4S+ MolecularWeight: 416.94268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C18H26ClN3O4S/c19-16-5-4-15(14-17(16)27(24,25)22-8-1-2-9-22)18(23)20-6-3-7-21-10-12-26-13-11-21/h4-5,14H,1-3,6-13H2,(H,20,23)/p+1