dimethyl-[2-[[1-(phenylmethyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(phenylmethyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[(1-benzyl-5-isopropyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo-[1-(phenylmethyl)-5-propan-2-yl-4-pyrazolyl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(1-benzyl-5-propan-2-ylpyrazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1-benzyl-5-isopropyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1CC2=CC=CC=C2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(C)C1=C(C=NN1CC2=CC=CC=C2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C18H26N4O/c1-14(2)17-16(18(23)19-10-11-21(3)4)12-20-22(17)13-15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,19,23)/p+1