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

Systemtic Name: [4-oxidanylidene-4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridyl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[6-[4-(2-pyrimidyl)piperazino]-3-pyridyl]amino]butyl]ammonium Formula: C17H24N7O+ MolecularWeight: 342.41876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O/c18-6-1-3-16(25)22-14-4-5-15(21-13-14)23-9-11-24(12-10-23)17-19-7-2-8-20-17/h2,4-5,7-8,13H,1,3,6,9-12,18H2,(H,22,25)/p+1