O1-tert-butyl O4-(phenylmethyl) 1-(propylamino)piperidin-1-ium-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 1-(propylamino)piperidin-1-ium-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 1-(propylamino)piperidin-1-ium-1,4-dicarboxylate CAS Name: 1-(propylamino)piperidin-1-ium-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 1-(propylamino)piperidin-1-ium-1,4-dicarboxylate Traditional Name: 1-(propylamino)piperidin-1-ium-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+]1(CCC(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN[N+]1(CCC(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N2O4/c1-5-13-22-23(20(25)27-21(2,3)4)14-11-18(12-15-23)19(24)26-16-17-9-7-6-8-10-17/h6-10,18,22H,5,11-16H2,1-4H3/q+1