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

Systemtic Name: methyl 5-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[(4-benzamido-1-piperidin-1-iumyl)methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-14-12-17(26-18(14)20(24)25-2)13-22-10-8-16(9-11-22)21-19(23)15-6-4-3-5-7-15/h3-7,12,16H,8-11,13H2,1-2H3,(H,21,23)/p+1