methyl 1-[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]acetyl]isonipecotic acid methyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O4/c1-31-24(30)18-9-12-26(13-10-18)22(28)15-21-23(29)25-11-14-27(21)16-19-7-4-6-17-5-2-3-8-20(17)19/h2-8,18,21H,9-16H2,1H3,(H,25,29)/p+1/t21-/m1/s1