[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-2-21-9-11-22(12-10-21)25-23(20-29(27-25)24-7-4-3-5-8-24)19-26-13-6-14-28-15-17-30-18-16-28/h3-5,7-12,20,26H,2,6,13-19H2,1H3/p+2