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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C20H28N2O3S/c1-4-16(2)18-6-9-20(10-7-18)26(23,24)22-13-11-21(12-14-22)15-19-8-5-17(3)25-19/h5-10,16H,4,11-15H2,1-3H3/p+1/t16-/m0/s1