methyl 5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C21H26N2O5S/c1-27-21(24)20-9-7-18(28-20)15-22-10-12-23(13-11-22)29(25,26)19-8-6-16-4-2-3-5-17(16)14-19/h6-9,14H,2-5,10-13,15H2,1H3/p+1