(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c1-15-8-12-23(13-9-15)16(2)20(25)22-19-14-17(6-7-18(19)21)28(26,27)24-10-4-3-5-11-24/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1