4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methyl-quinolin-1-ium

Systemtic Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methyl-quinolin-1-ium Openeye Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methyl-quinolin-1-ium CAS Name: 4-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-6-methoxy-2-methylquinolin-1-ium IUPAC Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylquinolin-1-ium Traditional Name: 4-[4-(2-fluorophenyl)sulfonylpiperazino]-6-methoxy-2-methyl-quinolin-1-ium Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN3O3S/c1-15-13-20(17-14-16(28-2)7-8-19(17)23-15)24-9-11-25(12-10-24)29(26,27)21-6-4-3-5-18(21)22/h3-8,13-14H,9-12H2,1-2H3/p+1