[3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [3-methyl-5-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenyl-pyrazol-4-yl]methylammonium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1C2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

InChI

InChI=1S/C17H24N4/c1-13-8-6-7-11-20(13)17-16(12-18)14(2)19-21(17)15-9-4-3-5-10-15/h3-5,9-10,13H,6-8,11-12,18H2,1-2H3/p+2/t13-/m0/s1