1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC(=CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC(=CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c1-13-17(21(22)23)14(2)20(18-13)12-19-10-8-16(9-11-19)15-6-4-3-5-7-15/h3-8H,9-12H2,1-2H3/p+1