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

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Formula: C16H27ClN4OS+2 MolecularWeight: 358.92978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN4OS/c1-20-8-10-21(11-9-20)7-3-6-18-16(23)19-13-4-5-15(22-2)14(17)12-13/h4-5,12H,3,6-11H2,1-2H3,(H2,18,19,23)/p+2