N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N6O2+2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O2/c29-21(18-26-8-10-28(11-9-26)22-23-6-3-7-24-22)25-16-19-4-1-2-5-20(19)17-27-12-14-30-15-13-27/h1-7H,8-18H2,(H,25,29)/p+2