4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-propyl-benzenesulfonamide

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-propyl-benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-propyl-benzenesulfonamide CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-N-propylbenzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-propyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-2-14-24-30(28,29)22-11-8-20(9-12-22)10-13-23(27)26-17-15-25(16-18-26)19-21-6-4-3-5-7-21/h3-9,11-12,24H,2,10,13-19H2,1H3/p+1