[(2S)-2-(dimethylamino)-3-phenyl-propyl]-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-3-phenyl-propyl]-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-3-phenyl-propyl]-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-3-phenylpropyl]-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-3-phenylpropyl]-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-3-phenyl-propyl]-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]ammonium Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)C[NH2+]CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)[C@@H](CC1=CC=CC=C1)C[NH2+]CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5/c1-30(2)25(16-21-10-5-3-6-11-21)19-28-18-23-20-31(24-13-7-4-8-14-24)29-26(23)22-12-9-15-27-17-22/h3-15,17,20,25,28H,16,18-19H2,1-2H3/p+1/t25-/m0/s1