propan-2-yl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: isopropyl 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetic acid isopropyl ester Formula: C18H29N2O4S+ MolecularWeight: 369.49886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-14(2)16-5-7-17(8-6-16)25(22,23)20-11-9-19(10-12-20)13-18(21)24-15(3)4/h5-8,14-15H,9-13H2,1-4H3/p+1