[4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C24H35N2O4+ MolecularWeight: 415.5457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H34N2O4/c1-28-20-13-19(14-21(29-2)23(20)30-3)24(27)26-6-4-25(5-7-26)22-17-9-15-8-16(11-17)12-18(22)10-15/h13-18,22H,4-12H2,1-3H3/p+1