(1-ethyl-5-methyl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (1-ethyl-5-methyl-4-pyrazolyl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (1-ethyl-5-methylpyrazol-4-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3=CC=NC=C3)C

InChI

InChI=1S/C21H26N4/c1-3-25-18(2)21(15-23-25)17-24(16-20-9-12-22-13-10-20)14-11-19-7-5-4-6-8-19/h4-10,12-13,15H,3,11,14,16-17H2,1-2H3/p+1