2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-7-methylsulfanyl-quinolin-1-ium

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-7-methylsulfanyl-quinolin-1-ium Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-7-methylsulfanyl-quinolin-1-ium CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-methyl-7-(methylthio)quinolin-1-ium IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-7-methylsulfanylquinolin-1-ium Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-4-methyl-7-(methylthio)quinolin-1-ium Formula: C23H28N3S+ MolecularWeight: 378.55352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)SC)C(=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=[NH+]C4=C(C=CC(=C4)SC)C(=C3)C

InChI

InChI=1S/C23H27N3S/c1-16-5-6-17(2)22(13-16)25-9-11-26(12-10-25)23-14-18(3)20-8-7-19(27-4)15-21(20)24-23/h5-8,13-15H,9-12H2,1-4H3/p+1