2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxy-2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C15H26N5O2+ MolecularWeight: 308.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=CC(=N2)OC

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=CC(=N2)OC

InChI

InChI=1S/C15H25N5O2/c1-12(2)17-13(21)11-19-7-4-8-20(10-9-19)15-16-6-5-14(18-15)22-3/h5-6,12H,4,7-11H2,1-3H3,(H,17,21)/p+1