4-chloranyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-pyrrolidinosulfonyl-benzamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H26ClN3O3S/c1-2-21-9-5-6-15(21)13-20-18(23)14-7-8-16(19)17(12-14)26(24,25)22-10-3-4-11-22/h7-8,12,15H,2-6,9-11,13H2,1H3,(H,20,23)/p+1/t15-/m1/s1