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

Systemtic Name: N-(3-propan-2-yloxypropyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(3-isopropoxypropyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-(3-propan-2-yloxypropyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(3-propan-2-yloxypropyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(3-isopropoxypropyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C19H29N6O3+ MolecularWeight: 389.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)OCCCNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H28N6O3/c1-15(2)27-12-4-7-20-18(26)16-14-28-17(23-16)13-24-8-10-25(11-9-24)19-21-5-3-6-22-19/h3,5-6,14-15H,4,7-13H2,1-2H3,(H,20,26)/p+1