ethyl 4-(5-oxidanylpentylamino)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(5-oxidanylpentylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(5-hydroxypentylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-(5-hydroxypentylamino)-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-hydroxypentylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(5-hydroxypentylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCCCCCO)C=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCCCCO)C=CC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O3/c1-2-26-21(25)18-14-23-19-16-9-5-4-8-15(16)10-11-17(19)20(18)22-12-6-3-7-13-24/h4-5,8-11,14,24H,2-3,6-7,12-13H2,1H3,(H,22,23)/p+1