ethyl 4-[(phenylmethyl)amino]benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[(phenylmethyl)amino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[(phenylmethyl)amino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H21N2O2+ MolecularWeight: 357.42504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCC3=CC=CC=C3)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCC3=CC=CC=C3)C=CC4=CC=CC=C42

InChI

InChI=1S/C23H20N2O2/c1-2-27-23(26)20-15-25-21-18-11-7-6-10-17(18)12-13-19(21)22(20)24-14-16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25)/p+1