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

Systemtic Name: 1-[4-[4-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-chloro-7-methyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-chloro-7-methyl-3-quinolinyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2-chloro-7-methyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)Cl

InChI

InChI=1S/C23H24ClN3O/c1-16-3-4-19-14-20(23(24)25-22(19)13-16)15-26-9-11-27(12-10-26)21-7-5-18(6-8-21)17(2)28/h3-8,13-14H,9-12,15H2,1-2H3/p+1