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

Systemtic Name: [2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: 2-furfuryl-[2-keto-2-(4-p-phenetylsulfonylpiperazino)ethyl]-methyl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C20H27N3O5S/c1-3-27-17-6-8-19(9-7-17)29(25,26)23-12-10-22(11-13-23)20(24)16-21(2)15-18-5-4-14-28-18/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1