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

Systemtic Name: ethyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O2/c1-3-29-24(28)23-18(2)20-11-7-8-12-21(20)25-22(23)17-26-13-15-27(16-14-26)19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3/p+1