2-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine

Systemtic Name: 2-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]pyrrol-1-yl]pyrimidine Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CN2C3=NC=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=CC=CN2C3=NC=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H20N6/c1-2-7-19-17(6-1)23-13-11-22(12-14-23)15-16-5-3-10-24(16)18-20-8-4-9-21-18/h1-10H,11-15H2/p+1