N,N-dimethyl-2-[6-[(1-oxidanidylpyridin-1-ium-3-yl)iminomethyl]-1,3-benzodioxol-5-yl]ethanamine

Systemtic Name: N,N-dimethyl-2-[6-[(1-oxidanidylpyridin-1-ium-3-yl)iminomethyl]-1,3-benzodioxol-5-yl]ethanamine Openeye Name: N,N-dimethyl-2-[6-[(1-oxidopyridin-1-ium-3-yl)iminomethyl]-1,3-benzodioxol-5-yl]ethanamine CAS Name: N,N-dimethyl-2-[6-[(1-oxido-3-pyridin-1-iumyl)iminomethyl]-1,3-benzodioxol-5-yl]ethanamine IUPAC Name: N,N-dimethyl-2-[6-[(1-oxidopyridin-1-ium-3-yl)iminomethyl]-1,3-benzodioxol-5-yl]ethanamine Traditional Name: dimethyl-[2-[6-[(1-oxidopyridin-1-ium-3-yl)iminomethyl]-1,3-benzodioxol-5-yl]ethyl]amine Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1C=NC3=C[N+](=CC=C3)[O-])OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1C=NC3=C[N+](=CC=C3)[O-])OCO2

InChI

InChI=1S/C17H19N3O3/c1-19(2)7-5-13-8-16-17(23-12-22-16)9-14(13)10-18-15-4-3-6-20(21)11-15/h3-4,6,8-11H,5,7,12H2,1-2H3