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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-tert-butylphenyl)methanone Formula: C25H37N2O+ MolecularWeight: 381.57408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O/c1-24(2,3)22-6-4-21(5-7-22)23(28)26-8-10-27(11-9-26)25-15-18-12-19(16-25)14-20(13-18)17-25/h4-7,18-20H,8-17H2,1-3H3/p+1