methyl-[(5-methylfuran-2-yl)methyl]-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=C(O3)C

InChI

InChI=1S/C20H27N3O4S/c1-16-4-8-19(9-5-16)28(25,26)23-12-10-22(11-13-23)20(24)15-21(3)14-18-7-6-17(2)27-18/h4-9H,10-15H2,1-3H3/p+1