ethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)OCC)C

InChI

InChI=1S/C21H27N3O4/c1-4-27-20(25)19-15(3)16-8-6-7-9-17(16)22-18(19)14-23-10-12-24(13-11-23)21(26)28-5-2/h6-9H,4-5,10-14H2,1-3H3/p+1