1-[(5-methylfuran-2-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isobutylphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(4-isobutylphenyl)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-16(2)14-18-5-8-20(9-6-18)26(23,24)22-12-10-21(11-13-22)15-19-7-4-17(3)25-19/h4-9,16H,10-15H2,1-3H3/p+1