[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

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