1-adamantyl-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]azanium Openeye Name: 1-adamantyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]ammonium CAS Name: 1-adamantyl-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: 1-adamantyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]ammonium Formula: C21H27ClN3+ MolecularWeight: 356.91218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H26ClN3/c1-14-19(20(22)25(24-14)18-5-3-2-4-6-18)13-23-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,15-17,23H,7-13H2,1H3/p+1