4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolidinosulfonyl-benzamide Formula: C17H25ClN3O4S+ MolecularWeight: 402.9161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4S/c18-15-4-3-14(13-16(15)26(23,24)21-6-1-2-7-21)17(22)19-5-8-20-9-11-25-12-10-20/h3-4,13H,1-2,5-12H2,(H,19,22)/p+1