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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C16H27ClN4S+2 MolecularWeight: 342.93038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN4S/c1-13-4-5-14(12-15(13)17)19-16(22)18-6-3-7-21-10-8-20(2)9-11-21/h4-5,12H,3,6-11H2,1-2H3,(H2,18,19,22)/p+2