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

Systemtic Name: methyl 3-oxidanyl-4-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C23H28N2O4/c1-29-23(28)19-14-17-6-2-3-7-18(17)20(21(19)26)15-24-12-8-16(9-13-24)22(27)25-10-4-5-11-25/h2-3,6-7,14,16,26H,4-5,8-13,15H2,1H3/p+1