1-[4-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C24H27ClN3O+ MolecularWeight: 408.94368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)Cl)C

InChI

InChI=1S/C24H26ClN3O/c1-16-4-5-20-14-21(24(25)26-23(20)17(16)2)15-27-10-12-28(13-11-27)22-8-6-19(7-9-22)18(3)29/h4-9,14H,10-13,15H2,1-3H3/p+1