1-(3-chloranyl-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C13H20ClN4S+ MolecularWeight: 299.8427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C13H19ClN4S/c1-10-11(14)4-3-5-12(10)15-13(19)16-18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H2,15,16,19)/p+1