methyl 2-[2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-furylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-furanylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-furfuryl)piperazine-1,4-diium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H25N3O4S+2 MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-13-10-15(18(23)24-2)17(26-13)19-16(22)12-21-7-5-20(6-8-21)11-14-4-3-9-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,19,22)/p+2