[7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H29ClN3O+ MolecularWeight: 422.97026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C25H28ClN3O/c1-4-18-6-8-19(9-7-18)23-16-21(20-10-11-22(26)17(3)24(20)27-23)25(30)29-14-12-28(5-2)13-15-29/h6-11,16H,4-5,12-15H2,1-3H3/p+1