(1Z)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl-dimethyl-azaniumyl]ethanimidate

Systemtic Name: (1Z)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl-dimethyl-azaniumyl]ethanimidate Openeye Name: (1Z)-N-[2-(3,4-dihydroxyphenyl)ethyl-dimethyl-ammonio]ethanimidate CAS Name: (1Z)-N-[2-(3,4-dihydroxyphenyl)ethyl-dimethylammonio]ethanimidate IUPAC Name: (1Z)-N-[2-(3,4-dihydroxyphenyl)ethyl-dimethylazaniumyl]ethanimidate Traditional Name: (1Z)-N-[2-(3,4-dihydroxyphenyl)ethyl-dimethyl-ammonio]acetimidate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N+](C)(C)CCC1=CC(=C(C=C1)O)O)[O-]

Isomeric SMILES

C/C(=N/[N+](C)(C)CCC1=CC(=C(C=C1)O)O)/[O-]

InChI

InChI=1S/C12H18N2O3/c1-9(15)13-14(2,3)7-6-10-4-5-11(16)12(17)8-10/h4-5,8H,6-7H2,1-3H3,(H2-,13,15,16,17)