N-(5-azanyl-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-amino-2-methoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23N6O2+ MolecularWeight: 343.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O2/c1-25-15-4-3-13(18)11-14(15)21-16(24)12-22-7-9-23(10-8-22)17-19-5-2-6-20-17/h2-6,11H,7-10,12,18H2,1H3,(H,21,24)/p+1