N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C)C)C

InChI

InChI=1S/C18H29N3O3S/c1-13-12-14(2)16(4)18(15(13)3)25(23,24)21-10-8-20(9-11-21)7-6-19-17(5)22/h12H,6-11H2,1-5H3,(H,19,22)/p+1