N-(4-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(4-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(4-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(4-ethylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(4-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-(4-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-4-15-6-8-16(9-7-15)20(24(3,22)23)14-17(21)19-12-10-18(5-2)11-13-19/h6-9H,4-5,10-14H2,1-3H3/p+1