methyl 4-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O4/c1-31-25(30)21-16-19-8-4-5-9-20(19)22(23(21)28)17-26-14-10-18(11-15-26)24(29)27-12-6-2-3-7-13-27/h4-5,8-9,16,18,28H,2-3,6-7,10-15,17H2,1H3/p+1