[3-methyl-5-(4-methylpentoxy)-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [3-methyl-5-(4-methylpentoxy)-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: (5-isohexyloxy-3-methyl-1-phenyl-pyrazol-4-yl)methylammonium CAS Name: [3-methyl-5-(4-methylpentoxy)-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [3-methyl-5-(4-methylpentoxy)-1-phenylpyrazol-4-yl]methylazanium Traditional Name: (5-isohexyloxy-3-methyl-1-phenyl-pyrazol-4-yl)methylammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OCCCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])OCCCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O/c1-13(2)8-7-11-21-17-16(12-18)14(3)19-20(17)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12,18H2,1-3H3/p+1