methyl-[2-(4-methylphenoxy)ethyl]-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]azanium

Systemtic Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]azanium Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]-methyl-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]ammonium IUPAC Name: methyl-[2-(4-methylphenoxy)ethyl]-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]azanium Traditional Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]-methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+](C)CC(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+](C)CC(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C18H26N4O2/c1-14(2)22-17(9-10-19-22)20-18(23)13-21(4)11-12-24-16-7-5-15(3)6-8-16/h5-10,14H,11-13H2,1-4H3,(H,20,23)/p+1