methyl (2R)-1-[(2,3,6-trimethoxyphenanthren-9-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2,3,6-trimethoxyphenanthren-9-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(2,3,6-trimethoxy-9-phenanthryl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2,3,6-trimethoxy-9-phenanthrenyl)methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2,3,6-trimethoxyphenanthren-9-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2,3,6-trimethoxy-9-phenanthryl)methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C[NH+]4CCCCC4C(=O)OC)OC)OC

Isomeric SMILES

COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C[NH+]4CCCC[C@@H]4C(=O)OC)OC)OC

InChI

InChI=1S/C25H29NO5/c1-28-18-8-9-19-17(15-26-10-6-5-7-22(26)25(27)31-4)11-16-12-23(29-2)24(30-3)14-20(16)21(19)13-18/h8-9,11-14,22H,5-7,10,15H2,1-4H3/p+1/t22-/m1/s1