methyl 6-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate Openeye Name: methyl 6-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-5-morpholinosulfonyl-pyridine-3-carboxylate CAS Name: 6-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-5-(4-morpholinylsulfonyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate Traditional Name: 6-[4-(2-furfuryl)piperazin-4-ium-1-yl]-5-morpholinosulfonyl-nicotinic acid methyl ester Formula: C20H27N4O6S+ MolecularWeight: 451.51658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)N2CC[NH+](CC2)CC3=CC=CO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O6S/c1-28-20(25)16-13-18(31(26,27)24-8-11-29-12-9-24)19(21-14-16)23-6-4-22(5-7-23)15-17-3-2-10-30-17/h2-3,10,13-14H,4-9,11-12,15H2,1H3/p+1