4-methoxy-N,3-dimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N,3-dimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methoxy-N,3-dimethyl-benzenesulfonamide CAS Name: 4-methoxy-N,3-dimethyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxy-N,3-dimethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-methoxy-N,3-dimethyl-benzenesulfonamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-18-15-20(9-10-21(18)29-3)30(27,28)23(2)17-22(26)25-13-11-24(12-14-25)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3/p+1