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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(1-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+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5

InChI

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