methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-(3-phenoxypropyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-(3-phenoxypropyl)azanium Openeye Name: methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-(3-phenoxypropyl)ammonium CAS Name: methyl-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]-(3-phenoxypropyl)ammonium IUPAC Name: methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-(3-phenoxypropyl)azanium Traditional Name: [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-methyl-(3-phenoxypropyl)ammonium Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CCCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CCCOC2=CC=CC=C2

InChI

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