2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-8-methylsulfanyl-quinolin-1-ium CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-8-(methylthio)quinolin-1-ium IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-8-methylsulfanylquinolin-1-ium Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-8-(methylthio)quinolin-1-ium Formula: C17H25N3S+2 MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=[NH+]C3=C(C=CC=C3SC)C(=C2)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=[NH+]C3=C(C=CC=C3SC)C(=C2)C

InChI

InChI=1S/C17H23N3S/c1-4-19-8-10-20(11-9-19)16-12-13(2)14-6-5-7-15(21-3)17(14)18-16/h5-7,12H,4,8-11H2,1-3H3/p+2