2-[(2-methyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-2-yl)carbonyloxy]propan-2-yl-oxidanylidene-(phenylmethyl)azanium

Systemtic Name: 2-[(2-methyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-2-yl)carbonyloxy]propan-2-yl-oxidanylidene-(phenylmethyl)azanium Openeye Name: benzyl-[1-(1-hydroxy-2-methyl-3,4-dihydropyrrol-1-ium-2-carbonyl)oxy-1-methyl-ethyl]-oxo-ammonium CAS Name: 2-[(1-hydroxy-2-methyl-3,4-dihydropyrrol-1-ium-2-yl)-oxomethoxy]propan-2-yl-oxo-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(1-hydroxy-2-methyl-3,4-dihydropyrrol-1-ium-2-carbonyl)oxypropan-2-yl]-oxoazanium Traditional Name: benzyl-[1-(1-hydroxy-2-methyl-1-pyrrolin-1-ium-2-carbonyl)oxy-1-methyl-ethyl]-keto-ammonium Formula: C16H22N2O4+2 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=[N+]1O)C(=O)OC(C)(C)[N+](=O)CC2=CC=CC=C2

Isomeric SMILES

CC1(CCC=[N+]1O)C(=O)OC(C)(C)[N+](=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O4/c1-15(2,18(21)12-13-8-5-4-6-9-13)22-14(19)16(3)10-7-11-17(16)20/h4-6,8-9,11,20H,7,10,12H2,1-3H3/q+2