1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Formula: C21H28ClN4OS+ MolecularWeight: 419.99122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4OS/c1-27-20-9-7-19(8-10-20)26-15-13-25(14-16-26)12-2-11-23-21(28)24-18-5-3-17(22)4-6-18/h3-10H,2,11-16H2,1H3,(H2,23,24,28)/p+1