[6-chloranyl-2-(2-ethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [6-chloranyl-2-(2-ethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-chloro-2-(2-ethoxyphenyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [6-chloro-2-(2-ethoxyphenyl)-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [6-chloro-2-(2-ethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (6-chloro-2-o-phenetyl-4-quinolyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4OCC

InChI

InChI=1S/C24H26ClN3O2/c1-3-27-11-13-28(14-12-27)24(29)20-16-22(18-7-5-6-8-23(18)30-4-2)26-21-10-9-17(25)15-19(20)21/h5-10,15-16H,3-4,11-14H2,1-2H3/p+1