1-adamantyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]ammonium Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O/c1-15-22(16(2)27(26-15)20-6-4-3-5-7-20)25-21(28)14-24-23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,17-19,24H,8-14H2,1-2H3,(H,25,28)/p+1