O1-tert-butyl O4-(phenylmethyl) 1-[(4-methoxypiperidin-4-yl)methyl]-2-oxidanylidene-piperazin-1-ium-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 1-[(4-methoxypiperidin-4-yl)methyl]-2-oxidanylidene-piperazin-1-ium-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 1-[(4-methoxy-4-piperidyl)methyl]-2-oxo-piperazin-1-ium-1,4-dicarboxylate CAS Name: 1-[(4-methoxy-4-piperidinyl)methyl]-2-oxopiperazin-1-ium-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 1-[(4-methoxypiperidin-4-yl)methyl]-2-oxopiperazin-1-ium-1,4-dicarboxylate Traditional Name: 2-keto-1-[(4-methoxy-4-piperidyl)methyl]piperazin-1-ium-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C24H36N3O6+ MolecularWeight: 462.55914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCN(CC1=O)C(=O)OCC2=CC=CC=C2)CC3(CCNCC3)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCN(CC1=O)C(=O)OCC2=CC=CC=C2)CC3(CCNCC3)OC

InChI

InChI=1S/C24H36N3O6/c1-23(2,3)33-22(30)27(18-24(31-4)10-12-25-13-11-24)15-14-26(16-20(27)28)21(29)32-17-19-8-6-5-7-9-19/h5-9,25H,10-18H2,1-4H3/q+1