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

Systemtic Name: 4-[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(2-chloro-3-quinolinyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]phenol Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H20ClN3O/c21-20-16(13-15-3-1-2-4-19(15)22-20)14-23-9-11-24(12-10-23)17-5-7-18(25)8-6-17/h1-8,13,25H,9-12,14H2/p+1