2-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-(methylthio)quinoline Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-27-19-5-3-4-18(13-19)26-10-8-25(9-11-26)15-17-12-16-6-7-20(28-2)14-21(16)24-22(17)23/h3-7,12-14H,8-11,15H2,1-2H3/p+1