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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2,3-dimethoxyphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Formula: C23H33N2O3+ MolecularWeight: 385.51972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-27-20-5-3-4-19(21(20)28-2)22(26)24-6-8-25(9-7-24)23-13-16-10-17(14-23)12-18(11-16)15-23/h3-5,16-18H,6-15H2,1-2H3/p+1