ethyl 6,8-bis(chloranyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-bis(chloranyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dichloro-quinoline-3-carboxylate CAS Name: 6,8-dichloro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dichloroquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,8-dichloro-quinoline-3-carboxylic acid ethyl ester Formula: C23H24Cl2N3O2+ MolecularWeight: 445.36156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)Cl)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23Cl2N3O2/c1-2-30-23(29)19-14-26-21-18(12-17(24)13-20(21)25)22(19)28-10-8-27(9-11-28)15-16-6-4-3-5-7-16/h3-7,12-14H,2,8-11,15H2,1H3/p+1