1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazin-1-ium Formula: C21H31N2O+ MolecularWeight: 327.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-24-20-4-2-3-19(14-20)22-5-7-23(8-6-22)21-17-10-15-9-16(12-17)13-18(21)11-15/h2-4,14-18,21H,5-13H2,1H3/p+1