methyl-(phenylcarbonyl)-(2-piperidin-1-ylpropanoyloxy)-(pyrimidin-2-ylamino)azanium

Systemtic Name: methyl-(phenylcarbonyl)-(2-piperidin-1-ylpropanoyloxy)-(pyrimidin-2-ylamino)azanium Openeye Name: benzoyl-methyl-[2-(1-piperidyl)propanoyloxy]-(pyrimidin-2-ylamino)ammonium CAS Name: benzoyl-methyl-[1-oxo-2-(1-piperidinyl)propoxy]-(2-pyrimidinylamino)ammonium IUPAC Name: benzoyl-methyl-(2-piperidin-1-ylpropanoyloxy)-(pyrimidin-2-ylamino)azanium Traditional Name: benzoyl-methyl-(2-piperidinopropanoyloxy)-(2-pyrimidylamino)ammonium Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O[N+](C)(C(=O)C1=CC=CC=C1)NC2=NC=CC=N2)N3CCCCC3

Isomeric SMILES

CC(C(=O)O[N+](C)(C(=O)C1=CC=CC=C1)NC2=NC=CC=N2)N3CCCCC3

InChI

InChI=1S/C20H26N5O3/c1-16(24-14-7-4-8-15-24)19(27)28-25(2,23-20-21-12-9-13-22-20)18(26)17-10-5-3-6-11-17/h3,5-6,9-13,16H,4,7-8,14-15H2,1-2H3,(H,21,22,23)/q+1