2-[1-(2-diethylaminoethyl)-3,4-diphenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(2-diethylaminoethyl)-3,4-diphenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2-diethylaminoethyl)-3,4-diphenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-(2-diethylaminoethyl)-3,4-diphenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-(2-diethylaminoethyl)-3,4-diphenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2-diethylaminoethyl)-3,4-diphenyl-pyrazol-1-ium-1-yl]acetamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1(C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCN(CC)CC[N+]1(C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C23H28N4O/c1-3-26(4-2)15-16-27(18-22(24)28)17-21(19-11-7-5-8-12-19)23(25-27)20-13-9-6-10-14-20/h5-14,17H,3-4,15-16,18H2,1-2H3,(H-,24,28)/p+1