methyl 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)C(=O)OC

InChI

InChI=1S/C19H24N2O4/c1-14-12-15(25-18(14)19(22)24-3)13-20-8-10-21(11-9-20)16-6-4-5-7-17(16)23-2/h4-7,12H,8-11,13H2,1-3H3/p+1