[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]azanium

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]azanium Openeye Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-[2-(4-ethoxyphenoxy)ethyl]ammonium IUPAC Name: [1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]azanium Traditional Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(4-ethoxyphenoxy)ethyl]ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C23H26N4O2/c1-2-28-21-9-11-22(12-10-21)29-16-14-25-17-20-18-27(15-6-13-24)26-23(20)19-7-4-3-5-8-19/h3-5,7-12,18,25H,2,6,14-17H2,1H3/p+1