1-[4-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-chloro-3-quinolinyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H22ClN3O/c1-16(27)17-6-8-20(9-7-17)26-12-10-25(11-13-26)15-19-14-18-4-2-3-5-21(18)24-22(19)23/h2-9,14H,10-13,15H2,1H3/p+1