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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N4O/c1-12-9-16(11-15-12)6-3-5-14-8-13-4-2-7-17(18)10-13/h2,4,7,9-11,14,18H,3,5-6,8H2,1H3/q+1