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

Systemtic Name: (3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C23H31N4+ MolecularWeight: 363.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C23H30N4/c1-18(2)27-20(4)23(19(3)25-27)17-26(16-22-10-13-24-14-11-22)15-12-21-8-6-5-7-9-21/h5-11,13-14,18H,12,15-17H2,1-4H3/p+1