1-(4-tert-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H28N2O3S/c1-16-5-8-18(25-16)15-21-11-13-22(14-12-21)26(23,24)19-9-6-17(7-10-19)20(2,3)4/h5-10H,11-15H2,1-4H3/p+1