2-[[5-ethyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-ethyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(1-benzyl-5-ethyl-3-propyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-ethyl-1-(phenylmethyl)-3-propyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(1-benzyl-5-ethyl-3-propylpyrazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(1-benzyl-5-ethyl-3-propyl-pyrazole-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)NCC[NH+](C)C)CC)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O/c1-5-10-17-19(20(25)21-13-14-23(3)4)18(6-2)24(22-17)15-16-11-8-7-9-12-16/h7-9,11-12H,5-6,10,13-15H2,1-4H3,(H,21,25)/p+1