tert-butyl 1-[(4-chloranyl-7-methoxy-quinazolin-5-yl)oxymethyl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-chloranyl-7-methoxy-quinazolin-5-yl)oxymethyl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(4-chloro-7-methoxy-quinazolin-5-yl)oxymethyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[(4-chloro-7-methoxy-5-quinazolinyl)oxymethyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-chloro-7-methoxyquinazolin-5-yl)oxymethyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[(4-chloro-7-methoxy-quinazolin-5-yl)oxymethyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H27ClN3O4+ MolecularWeight: 408.89908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)COC2=C3C(=CC(=C2)OC)N=CN=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)COC2=C3C(=CC(=C2)OC)N=CN=C3Cl

InChI

InChI=1S/C20H27ClN3O4/c1-20(2,3)28-19(25)24(8-6-5-7-9-24)13-27-16-11-14(26-4)10-15-17(16)18(21)23-12-22-15/h10-12H,5-9,13H2,1-4H3/q+1