3-(4-methylimidazol-1-yl)-N-[(1-oxidanylpyridin-1-ium-4-yl)methyl]propan-1-amine

Systemtic Name: 3-(4-methylimidazol-1-yl)-N-[(1-oxidanylpyridin-1-ium-4-yl)methyl]propan-1-amine Openeye Name: N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-3-(4-methylimidazol-1-yl)propan-1-amine CAS Name: N-[(1-hydroxy-4-pyridin-1-iumyl)methyl]-3-(4-methyl-1-imidazolyl)-1-propanamine IUPAC Name: N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-3-(4-methylimidazol-1-yl)propan-1-amine Traditional Name: (1-hydroxypyridin-1-ium-4-yl)methyl-[3-(4-methylimidazol-1-yl)propyl]amine Formula: C13H19N4O+ MolecularWeight: 247.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CCCNCC2=CC=[N+](C=C2)O

Isomeric SMILES

CC1=CN(C=N1)CCCNCC2=CC=[N+](C=C2)O

InChI

InChI=1S/C13H19N4O/c1-12-10-16(11-15-12)6-2-5-14-9-13-3-7-17(18)8-4-13/h3-4,7-8,10-11,14,18H,2,5-6,9H2,1H3/q+1