methyl-(1-oxidanyl-1-oxidanylidene-2-piperidin-1-yl-propan-2-yl)-(phenylcarbonyl)-(1,4,5,6-tetrahydropyrimidin-2-ylamino)azanium

Systemtic Name: methyl-(1-oxidanyl-1-oxidanylidene-2-piperidin-1-yl-propan-2-yl)-(phenylcarbonyl)-(1,4,5,6-tetrahydropyrimidin-2-ylamino)azanium Openeye Name: benzoyl-[2-hydroxy-1-methyl-2-oxo-1-(1-piperidyl)ethyl]-methyl-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ammonium CAS Name: benzoyl-[1-hydroxy-1-oxo-2-(1-piperidinyl)propan-2-yl]-methyl-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ammonium IUPAC Name: benzoyl-(1-hydroxy-1-oxo-2-piperidin-1-ylpropan-2-yl)-methyl-(1,4,5,6-tetrahydropyrimidin-2-ylamino)azanium Traditional Name: benzoyl-(2-hydroxy-2-keto-1-methyl-1-piperidino-ethyl)-methyl-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ammonium Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(N1CCCCC1)[N+](C)(C(=O)C2=CC=CC=C2)NC3=NCCCN3

Isomeric SMILES

CC(C(=O)O)(N1CCCCC1)[N+](C)(C(=O)C2=CC=CC=C2)NC3=NCCCN3

InChI

InChI=1S/C20H29N5O3/c1-20(18(27)28,24-14-7-4-8-15-24)25(2,23-19-21-12-9-13-22-19)17(26)16-10-5-3-6-11-16/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3,(H2-,21,22,23,27,28)/p+1