N-[2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethyl]ethanamide

Systemtic Name: N-[2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]acetamide CAS Name: N-[2-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]acetamide Traditional Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18(25)22-12-11-19-7-9-21(10-8-19)28(26,27)24-15-13-23(14-16-24)17-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)/p+1