N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2/c28-20(22-10-7-17-5-2-1-3-6-17)18-16-29-19(25-18)15-26-11-13-27(14-12-26)21-23-8-4-9-24-21/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,22,28)/p+1