N-(5-chloranyl-2-methoxy-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(5-chloro-2-methoxy-phenyl)methanesulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(5-chloro-2-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(5-chloro-2-methoxy-phenyl)methanesulfonamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O4S/c1-29-20-9-8-18(22)14-19(20)25(30(2,27)28)16-21(26)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3/p+1