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

Systemtic Name: methyl 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-17(28)27-14-12-26(13-15-27)16-21-23(24(29)30-2)22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)25-21/h3-11H,12-16H2,1-2H3/p+1