2-[(2S)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-adamantyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C24H37N2O2+ MolecularWeight: 385.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H36N2O2/c1-28-23-4-2-3-17(14-23)15-25-6-7-26(16-22(25)5-8-27)24-20-10-18-9-19(12-20)13-21(24)11-18/h2-4,14,18-22,24,27H,5-13,15-16H2,1H3/p+1/t18?,19?,20?,21?,22-,24?/m0/s1