[2-(azepan-1-yl)-6-pyridin-2-yl-pyrimidin-4-yl]methylazanium

Systemtic Name: [2-(azepan-1-yl)-6-pyridin-2-yl-pyrimidin-4-yl]methylazanium Openeye Name: [2-(azepan-1-yl)-6-(2-pyridyl)pyrimidin-4-yl]methylammonium CAS Name: [2-(1-azepanyl)-6-(2-pyridinyl)-4-pyrimidinyl]methylammonium IUPAC Name: [2-(azepan-1-yl)-6-pyridin-2-ylpyrimidin-4-yl]methylazanium Traditional Name: [2-(azepan-1-yl)-6-(2-pyridyl)pyrimidin-4-yl]methylammonium Formula: C16H22N5+ MolecularWeight: 284.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C[NH3+])C3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C[NH3+])C3=CC=CC=N3

InChI

InChI=1S/C16H21N5/c17-12-13-11-15(14-7-3-4-8-18-14)20-16(19-13)21-9-5-1-2-6-10-21/h3-4,7-8,11H,1-2,5-6,9-10,12,17H2/p+1