1-adamantyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]ammonium Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C25H34N4O/c1-24(2,3)21-12-22(29(28-21)20-7-5-4-6-8-20)27-23(30)16-26-25-13-17-9-18(14-25)11-19(10-17)15-25/h4-8,12,17-19,26H,9-11,13-16H2,1-3H3,(H,27,30)/p+1