N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H29N3O3S/c1-15(22)19-9-10-20-11-13-21(14-12-20)25(23,24)17-7-5-16(6-8-17)18(2,3)4/h5-8H,9-14H2,1-4H3,(H,19,22)/p+1