3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C24H32N3O4S+ MolecularWeight: 458.59358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H31N3O4S/c28-24(26-14-12-25(13-15-26)20-22-4-2-1-3-5-22)11-8-21-6-9-23(10-7-21)32(29,30)27-16-18-31-19-17-27/h1-7,9-10H,8,11-20H2/p+1