(1-methyl-3-phenyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (1-methyl-3-phenyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (1-methyl-3-phenyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (1-methyl-3-phenyl-4-pyrazolyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (1-methyl-3-phenylpyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (1-methyl-3-phenyl-pyrazol-4-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6/c1-25-14-17(19(24-25)16-7-3-2-4-8-16)13-23-18-9-5-12-26(15-18)20-21-10-6-11-22-20/h2-4,6-8,10-11,14,18,23H,5,9,12-13,15H2,1H3/p+1/t18-/m0/s1