ethyl 4-[2-(2,2-dimethylpropanoyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(2,2-dimethyl-1-oxopropoxy)ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2-dimethylpropanoyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-pivaloyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C(C)(C)C)C=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C(C)(C)C)C=CC3=CC=CC=C32

InChI

InChI=1S/C23H26N2O4/c1-5-28-21(26)18-14-25-19-16-9-7-6-8-15(16)10-11-17(19)20(18)24-12-13-29-22(27)23(2,3)4/h6-11,14H,5,12-13H2,1-4H3,(H,24,25)/p+1