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

Systemtic Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCC[NH+]3CCOCC3)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCC[NH+]3CCOCC3)C=CC4=CC=CC=C42

InChI

InChI=1S/C22H25N3O3/c1-2-28-22(26)19-15-24-20-17-6-4-3-5-16(17)7-8-18(20)21(19)23-9-10-25-11-13-27-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,23,24)/p+2