methyl 4-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[(4-benzamido-1-piperidin-1-iumyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[(4-benzamidopiperidin-1-ium-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-31-25(30)21-15-18-9-5-6-10-20(18)22(23(21)28)16-27-13-11-19(12-14-27)26-24(29)17-7-3-2-4-8-17/h2-10,15,19,28H,11-14,16H2,1H3,(H,26,29)/p+1