diethyl-[2-(4-isothiocyanatophenyl)carbonyloxyethyl]-methyl-azanium

Systemtic Name: diethyl-[2-(4-isothiocyanatophenyl)carbonyloxyethyl]-methyl-azanium Openeye Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methyl-ammonium CAS Name: diethyl-[2-[(4-isothiocyanatophenyl)-oxomethoxy]ethyl]-methylammonium IUPAC Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methylazanium Traditional Name: diethyl-[2-(4-isothiocyanatobenzoyl)oxyethyl]-methyl-ammonium Formula: C15H21N2O2S+ MolecularWeight: 293.40444

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C15H21N2O2S/c1-4-17(3,5-2)10-11-19-15(18)13-6-8-14(9-7-13)16-12-20/h6-9H,4-5,10-11H2,1-3H3/q+1