ethyl 4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-4-24-18(21)16-5-7-17(8-6-16)25(22,23)20-13-11-19(12-14-20)10-9-15(2)3/h5-9H,4,10-14H2,1-3H3/p+1