[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-piperazin-4-ium-1-yl-methanone Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C24H30N4O/c29-23(27-8-6-25-7-9-27)21-16-28(20-4-2-1-3-5-20)26-22(21)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,16-19,25H,6-15H2/p+1