ethyl 4-(butoxycarbonylamino)-3-ethyl-1-methyl-quinolin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-(butoxycarbonylamino)-3-ethyl-1-methyl-quinolin-1-ium-2-carboxylate Openeye Name: ethyl 4-(butoxycarbonylamino)-3-ethyl-1-methyl-quinolin-1-ium-2-carboxylate CAS Name: 4-[[butoxy(oxo)methyl]amino]-3-ethyl-1-methyl-2-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butoxycarbonylamino)-3-ethyl-1-methylquinolin-1-ium-2-carboxylate Traditional Name: 4-(butoxycarbonylamino)-3-ethyl-1-methyl-quinolin-1-ium-2-carboxylic acid ethyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C(=[N+](C2=CC=CC=C21)C)C(=O)OCC)CC

Isomeric SMILES

CCCCOC(=O)NC1=C(C(=[N+](C2=CC=CC=C21)C)C(=O)OCC)CC

InChI

InChI=1S/C20H26N2O4/c1-5-8-13-26-20(24)21-17-14(6-2)18(19(23)25-7-3)22(4)16-12-10-9-11-15(16)17/h9-12H,5-8,13H2,1-4H3/p+1