N-[(1-methylpyrazol-4-yl)methyl]-3-phenylmethoxy-pyridin-1-ium-2-amine

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-3-phenylmethoxy-pyridin-1-ium-2-amine Openeye Name: 3-benzyloxy-N-[(1-methylpyrazol-4-yl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-3-phenylmethoxy-2-pyridin-1-iumamine IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-3-phenylmethoxypyridin-1-ium-2-amine Traditional Name: (3-benzoxypyridin-1-ium-2-yl)-[(1-methylpyrazol-4-yl)methyl]amine Formula: C17H19N4O+ MolecularWeight: 295.35896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=C(C=CC=[NH+]2)OCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CNC2=C(C=CC=[NH+]2)OCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O/c1-21-12-15(11-20-21)10-19-17-16(8-5-9-18-17)22-13-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H,18,19)/p+1