[4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H34N4O/c1-18-24(19(2)30(27-18)23-6-4-3-5-7-23)25(31)28-8-10-29(11-9-28)26-15-20-12-21(16-26)14-22(13-20)17-26/h3-7,20-22H,8-17H2,1-2H3/p+1