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

Systemtic Name: methyl 1-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetyl]isonipecotic acid methyl ester Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H29N3O5/c1-28-18-6-4-3-5-16(18)14-24-12-9-22-20(26)17(24)13-19(25)23-10-7-15(8-11-23)21(27)29-2/h3-6,15,17H,7-14H2,1-2H3,(H,22,26)/p+1/t17-/m1/s1