methyl 1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]isonipecotic acid methyl ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H28N2O3/c1-25-20(24)18-9-13-22(14-10-18)19(23)17-7-5-16(6-8-17)15-21-11-3-2-4-12-21/h5-8,18H,2-4,9-15H2,1H3/p+1