2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-methoxy-2-pyrimidinyl)amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=NC(=NC=C1)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-25-17-7-10-19-18(22-17)21-15-8-11-23(12-9-15)13-16(24)20-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H,20,24)(H,19,21,22)/p+1