[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-[(2S)-2-ethylhexyl]ammonium Formula: C18H26Cl2N3+ MolecularWeight: 355.32514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=C(NN=C1)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=C(NN=C1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H25Cl2N3/c1-3-5-6-13(4-2)10-21-11-14-12-22-23-18(14)16-8-7-15(19)9-17(16)20/h7-9,12-13,21H,3-6,10-11H2,1-2H3,(H,22,23)/p+1/t13-/m0/s1