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

Systemtic Name: ethyl 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-4-26-20(25)19-14(2)16-7-5-6-8-17(16)21-18(19)13-22-9-11-23(12-10-22)15(3)24/h5-8H,4,9-13H2,1-3H3/p+1