N-[2-(azepan-1-yl)ethoxy]-1-(1-oxidanidylpyridin-1-ium-4-yl)methanimine dihydrochloride

Systemtic Name: N-[2-(azepan-1-yl)ethoxy]-1-(1-oxidanidylpyridin-1-ium-4-yl)methanimine dihydrochloride Openeye Name: N-[2-(azepan-1-yl)ethoxy]-1-(1-oxidopyridin-1-ium-4-yl)methanimine dihydrochloride CAS Name: N-[2-(1-azepanyl)ethoxy]-1-(1-oxido-4-pyridin-1-iumyl)methanimine dihydrochloride IUPAC Name: N-[2-(azepan-1-yl)ethoxy]-1-(1-oxidopyridin-1-ium-4-yl)methanimine dihydrochloride Traditional Name: (Z)-2-(azepan-1-yl)ethoxy-[(1-oxidopyridin-1-ium-4-yl)methylene]amine dihydrochloride Formula: C14H23Cl2N3O2 MolecularWeight: 336.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCON=CC2=CC=[N+](C=C2)[O-].Cl.Cl

Isomeric SMILES

C1CCCN(CC1)CCO/N=C\C2=CC=[N+](C=C2)[O-].Cl.Cl

InChI

InChI=1S/C14H21N3O2.2ClH/c18-17-9-5-14(6-10-17)13-15-19-12-11-16-7-3-1-2-4-8-16;;/h5-6,9-10,13H,1-4,7-8,11-12H2;2*1H/b15-13-;;