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

Systemtic Name: 1-naphthalen-1-yl-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Openeye Name: 1-(1-naphthyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea CAS Name: 1-(1-naphthalenyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-naphthalen-1-yl-3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]urea Traditional Name: 1-(1-naphthyl)-3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]urea Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O/c29-22(26-20-9-3-7-18-6-1-2-8-19(18)20)25-12-5-13-27-14-16-28(17-15-27)21-23-10-4-11-24-21/h1-4,6-11H,5,12-17H2,(H2,25,26,29)/p+1