methyl 2-methyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H25N2O5S+ MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S/c1-15-18(19(22)25-2)12-17(26-15)13-20-8-10-21(11-9-20)27(23,24)14-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3/p+1