1-(3,4-dichlorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(3,4-dichlorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(3,4-dichlorophenyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C18H23Cl2N6O+ MolecularWeight: 410.32082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=NC=CC=N3

InChI

InChI=1S/C18H22Cl2N6O/c19-15-4-3-14(13-16(15)20)24-18(27)23-7-2-8-25-9-11-26(12-10-25)17-21-5-1-6-22-17/h1,3-6,13H,2,7-12H2,(H2,23,24,27)/p+1