N-[(4-fluorophenyl)methyl]-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine Openeye Name: N-[(4-fluorophenyl)methyl]-4-methyl-6-methylsulfanyl-quinolin-1-ium-2-amine CAS Name: N-[(4-fluorophenyl)methyl]-4-methyl-6-(methylthio)-2-quinolin-1-iumamine IUPAC Name: N-[(4-fluorophenyl)methyl]-4-methyl-6-methylsulfanylquinolin-1-ium-2-amine Traditional Name: (4-fluorobenzyl)-[4-methyl-6-(methylthio)quinolin-1-ium-2-yl]amine Formula: C18H18FN2S+ MolecularWeight: 313.412323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2S/c1-12-9-18(20-11-13-3-5-14(19)6-4-13)21-17-8-7-15(22-2)10-16(12)17/h3-10H,11H2,1-2H3,(H,20,21)/p+1