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

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30N2O2/c1-26-20-4-2-17(3-5-20)22(25)24-8-6-23(7-9-24)21-18-11-15-10-16(13-18)14-19(21)12-15/h2-5,15-16,18-19,21H,6-14H2,1H3/p+1