3-[4-(2-methoxyphenyl)-4-methylsulfonyl-piperazin-4-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-(2-methoxyphenyl)-4-methylsulfonyl-piperazin-4-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-(2-methoxyphenyl)-4-methylsulfonyl-piperazin-4-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-(2-methoxyphenyl)-4-methylsulfonyl-1-piperazin-4-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-(2-methoxyphenyl)-4-methylsulfonylpiperazin-4-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-mesyl-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]-N-phenyl-propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCN(CC2)CCC(=O)NC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCN(CC2)CCC(=O)NC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-28-20-11-7-6-10-19(20)24(29(2,26)27)16-14-23(15-17-24)13-12-21(25)22-18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3/p+1