[4-(2-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H28N2O/c24-21(17-4-2-1-3-5-17)23-8-6-22(7-9-23)20-18-11-15-10-16(13-18)14-19(20)12-15/h1-5,15-16,18-20H,6-14H2/p+1