N-(1-adamantyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-benzhydryl-piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-benzhydrylpiperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-benzhydryl-piperazin-4-ium-1-carboxamide Formula: C28H36N3O+ MolecularWeight: 430.60494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35N3O/c32-27(29-28-18-21-15-22(19-28)17-23(16-21)20-28)31-13-11-30(12-14-31)26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23,26H,11-20H2,(H,29,32)/p+1