N-[3-[[(7-chloranylquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[(7-chloranylquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-[3-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide CAS Name: N-[3-[[(7-chloro-4-quinolin-1-iumyl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-[3-[[(7-chloroquinolin-1-ium-4-yl)amino]methyl]phenyl]methanesulfonamide Formula: C17H17ClN3O2S+ MolecularWeight: 362.85378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-24(22,23)21-14-4-2-3-12(9-14)11-20-16-7-8-19-17-10-13(18)5-6-15(16)17/h2-10,21H,11H2,1H3,(H,19,20)/p+1