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ethyl 6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylate

ethyl 6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name:ethyl 6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylate
Openeye Name:ethyl 6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylate
CAS Name:6-ethoxy-4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl 6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylate
Traditional Name:6-ethoxy-4-(phenethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester
Formula: C22H25N2O3+
MolecularWeight: 365.4455
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCC3=CC=CC=C3


Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCC3=CC=CC=C3


InChI

InChI=1S/C22H24N2O3/c1-3-26-17-10-11-20-18(14-17)21(19(15-24-20)22(25)27-4-2)23-13-12-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,24)/p+1


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