tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C18H29N2O4S+ MolecularWeight: 369.49886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C18H28N2O4S/c1-14-6-7-16(12-15(14)2)25(22,23)20-10-8-19(9-11-20)13-17(21)24-18(3,4)5/h6-7,12H,8-11,13H2,1-5H3/p+1