[5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-chloro-2-(p-tolylmethylsulfonyl)pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-2-[(4-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-chloro-2-[(4-methylphenyl)methylsulfonyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-chloro-2-(4-methylbenzyl)sulfonyl-pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-13-3-5-14(6-4-13)12-27(25,26)18-20-11-15(19)16(21-18)17(24)23-9-7-22(2)8-10-23/h3-6,11H,7-10,12H2,1-2H3/p+1