ethyl 4-(2-methylpropylamino)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(isobutylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-(2-methylpropylamino)-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(isobutylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCC(C)C)C=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCC(C)C)C=CC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O2/c1-4-24-20(23)17-12-22-18-15-8-6-5-7-14(15)9-10-16(18)19(17)21-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,21,22)/p+1