2-[(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2,4-dimethyl-6-oxo-pyran-3-carbonyl)amino]ethyl]-methyl-ammonium CAS Name: 2-[[(2,4-dimethyl-6-oxo-3-pyranyl)-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[(6-keto-2,4-dimethyl-pyran-3-carbonyl)amino]ethyl]-methyl-ammonium Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)NCC[NH+](C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)NCC[NH+](C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O3/c1-13-11-16(21)23-14(2)17(13)18(22)19-9-10-20(3)12-15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)/p+1