1-(4-chlorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C15H25ClN4S+2 MolecularWeight: 328.9038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H23ClN4S/c1-19-9-11-20(12-10-19)8-2-7-17-15(21)18-14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3,(H2,17,18,21)/p+2