6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline

Systemtic Name: 6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline CAS Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Formula: C21H23ClN3O3S+ MolecularWeight: 432.94362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-24-9-11-25(12-10-24)21-18-13-15(22)3-8-19(18)23-14-20(21)29(26,27)17-6-4-16(28-2)5-7-17/h3-8,13-14H,9-12H2,1-2H3/p+1