2-ethyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]butanamide

Systemtic Name: 2-ethyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]butanamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-ethyl-butanamide CAS Name: 2-ethyl-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]butanamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-ethylbutanamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-ethyl-butyramide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)C(=O)NCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H31N3O3S/c1-3-18(4-2)19(23)20-10-15-26(24,25)22-13-11-21(12-14-22)16-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3,(H,20,23)/p+1