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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O4/c1-28-20-11-19(12-21(29-2)22(20)30-3)23(27)25-4-6-26(7-5-25)24-13-16-8-17(14-24)10-18(9-16)15-24/h11-12,16-18H,4-10,13-15H2,1-3H3/p+1