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

Systemtic Name: ethyl 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 6-ethoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N3O3+2 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N3O3/c1-4-24-14-6-7-17-15(12-14)18(22-10-8-21(3)9-11-22)16(13-20-17)19(23)25-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3/p+2