ethyl 4-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-methylcyclohexyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCC(CC3)C

InChI

InChI=1S/C20H30N2O4S/c1-3-26-20(23)17-6-10-19(11-7-17)27(24,25)22-14-12-21(13-15-22)18-8-4-16(2)5-9-18/h6-7,10-11,16,18H,3-5,8-9,12-15H2,1-2H3/p+1