N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-14-6-10-21(11-7-14)13-18(23)20-17-12-15(4-5-16(17)19)26(24,25)22-8-2-3-9-22/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,20,23)/p+1