(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethoxycarbonylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(carbethoxyamino)-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-3-29-22(28)23-20(27)16-25(2)14-18-15-26(19-12-8-5-9-13-19)24-21(18)17-10-6-4-7-11-17/h4-13,15H,3,14,16H2,1-2H3,(H,23,27,28)/p+1