N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(4-morpholinosulfonylphenyl)acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O4S/c28-23(19-26-12-10-25(11-13-26)18-20-4-2-1-3-5-20)24-21-6-8-22(9-7-21)32(29,30)27-14-16-31-17-15-27/h1-9H,10-19H2,(H,24,28)/p+1