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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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