[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,4,6-trimethylphenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,4,6-trimethylphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,4,6-trimethylphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2,4,6-trimethylphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,4,6-trimethylphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-mesityl-methanone Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H34N2O/c1-16-8-17(2)22(18(3)9-16)23(27)25-4-6-26(7-5-25)24-13-19-10-20(14-24)12-21(11-19)15-24/h8-9,19-21H,4-7,10-15H2,1-3H3/p+1