1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-pyrimidylamino)propan-1-one Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNC3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c24-17(7-10-21-18-19-8-4-9-20-18)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16/h1-6,8-9H,7,10-15H2,(H,19,20,21)/p+1