N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]quinolin-1-ium-2-amine

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]quinolin-1-ium-2-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]quinolin-1-ium-2-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-quinolin-1-iumamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinolin-1-ium-2-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-quinolin-1-ium-2-yl-amine Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N4/c1-15-19(16(2)25(24-15)18-9-4-3-5-10-18)14-22-21-13-12-17-8-6-7-11-20(17)23-21/h3-13H,14H2,1-2H3,(H,22,23)/p+1