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

Systemtic Name: [3-methyl-5-[(3S)-3-methylpiperidin-1-yl]-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [3-methyl-5-[(3S)-3-methyl-1-piperidyl]-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [3-methyl-5-[(3S)-3-methyl-1-piperidinyl]-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [3-methyl-5-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [3-methyl-5-[(3S)-3-methylpiperidino]-1-phenyl-pyrazol-4-yl]methylammonium Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NN2C3=CC=CC=C3)C)C[NH3+]

InChI

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