tert-butyl 2-[4-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(Z)-(2-piperidin-1-ium-1-ylethanoylhydrazinylidene)methyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]hydrazinylidene]methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-[(2-piperidin-1-ium-1-ylacetyl)hydrazono]methyl]phenoxy]acetic acid tert-butyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)/C=N\NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C20H29N3O4/c1-20(2,3)27-19(25)15-26-17-9-7-16(8-10-17)13-21-22-18(24)14-23-11-5-4-6-12-23/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,22,24)/p+1/b21-13-