tert-butyl 3-cyano-2-[1-(2-methoxyethylamino)piperidin-1-ium-1-yl]benzoate

Systemtic Name: tert-butyl 3-cyano-2-[1-(2-methoxyethylamino)piperidin-1-ium-1-yl]benzoate Openeye Name: tert-butyl 3-cyano-2-[1-(2-methoxyethylamino)piperidin-1-ium-1-yl]benzoate CAS Name: 3-cyano-2-[1-(2-methoxyethylamino)-1-piperidin-1-iumyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-2-[1-(2-methoxyethylamino)piperidin-1-ium-1-yl]benzoate Traditional Name: 3-cyano-2-[1-(2-methoxyethylamino)piperidin-1-ium-1-yl]benzoic acid tert-butyl ester Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(=C1[N+]2(CCCCC2)NCCOC)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(=C1[N+]2(CCCCC2)NCCOC)C#N

InChI

InChI=1S/C20H30N3O3/c1-20(2,3)26-19(24)17-10-8-9-16(15-21)18(17)23(22-11-14-25-4)12-6-5-7-13-23/h8-10,22H,5-7,11-14H2,1-4H3/q+1