(3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3,5-dimethyl-2-pyrazol-1-yl-phenyl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [3,5-dimethyl-2-(1-pyrazolyl)phenyl]methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3,5-dimethyl-2-pyrazol-1-yl-benzyl)-phenethyl-(4-pyridylmethyl)ammonium Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)N4C=CC=N4)C

InChI

InChI=1S/C26H28N4/c1-21-17-22(2)26(30-15-6-12-28-30)25(18-21)20-29(19-24-9-13-27-14-10-24)16-11-23-7-4-3-5-8-23/h3-10,12-15,17-18H,11,16,19-20H2,1-2H3/p+1