ethyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C25H33N3O2+2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NC3CC([NH2+]C(C3)(C)C)(C)C)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NC3CC([NH2+]C(C3)(C)C)(C)C)C=CC4=CC=CC=C42

InChI

InChI=1S/C25H31N3O2/c1-6-30-23(29)20-15-26-21-18-10-8-7-9-16(18)11-12-19(21)22(20)27-17-13-24(2,3)28-25(4,5)14-17/h7-12,15,17,28H,6,13-14H2,1-5H3,(H,26,27)/p+2