N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C22H30N7O2+ MolecularWeight: 424.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N7O2/c30-20(25-18-5-2-1-3-6-18)17-27-11-7-19(8-12-27)26-22(31)29-15-13-28(14-16-29)21-23-9-4-10-24-21/h1-6,9-10,19H,7-8,11-17H2,(H,25,30)(H,26,31)/p+1