1-(4-aminophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-aminophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-(4-aminophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-(4-aminophenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-(4-aminophenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)N)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O/c18-15-4-2-14(3-5-15)16(23)6-9-21-10-12-22(13-11-21)17-19-7-1-8-20-17/h1-5,7-8H,6,9-13,18H2/p+1