2-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine

Systemtic Name: 2-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine Openeye Name: 2-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine CAS Name: 2-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine IUPAC Name: 2-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine Traditional Name: 2-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=CN4C=CC=CC4=N3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C17H20N6/c1-2-9-23-14-15(20-16(23)5-1)13-21-8-4-10-22(12-11-21)17-18-6-3-7-19-17/h1-3,5-7,9,14H,4,8,10-13H2/p+1