ethyl 8-ethyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-ethyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-ethyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 8-ethyl-4-(4-methyl-1-piperazinyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-ethyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 8-ethyl-4-(4-methylpiperazino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)N3CCN(CC3)C

Isomeric SMILES

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)N3CCN(CC3)C

InChI

InChI=1S/C19H25N3O2/c1-4-14-7-6-8-15-17(14)20-13-16(19(23)24-5-2)18(15)22-11-9-21(3)10-12-22/h6-8,13H,4-5,9-12H2,1-3H3/p+1