N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-2-ium-1-amine

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-2-ium-1-amine Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-2-ium-1-amine CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-1-isoquinolin-2-iumamine IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-2-ium-1-amine Traditional Name: isoquinolin-2-ium-1-yl-[(1-methylpyrazol-4-yl)methyl]amine Formula: C14H15N4+ MolecularWeight: 239.2957

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=[NH+]C=CC3=CC=CC=C32

Isomeric SMILES

CN1C=C(C=N1)CNC2=[NH+]C=CC3=CC=CC=C32

InChI

InChI=1S/C14H14N4/c1-18-10-11(9-17-18)8-16-14-13-5-3-2-4-12(13)6-7-15-14/h2-7,9-10H,8H2,1H3,(H,15,16)/p+1