2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethyl-azanium Openeye Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethyl-ammonium CAS Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethylazanium Traditional Name: 2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]ethyl-diethyl-ammonium Formula: C18H29N4+ MolecularWeight: 301.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNCC1=C(NN=C1)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[NH+](CC)CCNCC1=C(NN=C1)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H28N4/c1-5-22(6-2)10-9-19-12-17-13-20-21-18(17)16-8-7-14(3)15(4)11-16/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3,(H,20,21)/p+1