[3-oxidanylidene-3-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]amino]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]amino]propyl]azanium Openeye Name: [3-oxo-3-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridyl]amino]propyl]ammonium CAS Name: [3-oxo-3-[[6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinyl]amino]propyl]ammonium IUPAC Name: [3-oxo-3-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]amino]propyl]azanium Traditional Name: [3-keto-3-[[6-[4-(2-pyrimidyl)piperazino]-3-pyridyl]amino]propyl]ammonium Formula: C16H22N7O+ MolecularWeight: 328.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CC[NH3+])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CC[NH3+])C3=NC=CC=N3

InChI

InChI=1S/C16H21N7O/c17-5-4-15(24)21-13-2-3-14(20-12-13)22-8-10-23(11-9-22)16-18-6-1-7-19-16/h1-3,6-7,12H,4-5,8-11,17H2,(H,21,24)/p+1