6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridine-3-carbonitrile Openeye Name: 6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridine-3-carbonitrile CAS Name: 6-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridine-3-carbonitrile Traditional Name: 6-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]nicotinonitrile Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=NC=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=NC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C17H21N7/c18-13-15-3-4-16(22-14-15)19-7-2-8-23-9-11-24(12-10-23)17-20-5-1-6-21-17/h1,3-6,14H,2,7-12H2,(H,19,22)/p+1