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

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N6O2/c1-27-17-6-4-16(5-7-17)23-19(26)22-10-3-11-24-12-14-25(15-13-24)18-20-8-2-9-21-18/h2,4-9H,3,10-15H2,1H3,(H2,22,23,26)/p+1