4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[1-cyclohex-2-enyl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium tosylate Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2CCCC=C2)C3=CC=CC=C3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2CCCC=C2)C3=CC=CC=C3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H31N2.C7H8O3S/c1-3-22(2)16-14-21(15-17-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-8,10-12,19-20H,3,5,9,13-17H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1