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

Systemtic Name: 1-adamantyl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-(4-benzhydrylpiperazin-4-ium-1-yl)methanone CAS Name: 1-adamantyl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Traditional Name: 1-adamantyl-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C28H35N2O+ MolecularWeight: 415.5903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34N2O/c31-27(28-18-21-15-22(19-28)17-23(16-21)20-28)30-13-11-29(12-14-30)26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23,26H,11-20H2/p+1