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

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N2O3S/c1-15-7-8-17(22-15)13-18-9-11-19(12-10-18)23(20,21)14-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3/p+1