1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C17H29ClN4S+2 MolecularWeight: 356.95696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCC[NH+]2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCCC[NH+]2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H27ClN4S/c1-13-11-14(2)16(15(18)12-13)20-17(23)19-5-4-6-22-9-7-21(3)8-10-22/h11-12H,4-10H2,1-3H3,(H2,19,20,23)/p+2