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

Systemtic Name: 2-[(2S)-4-(2-adamantyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-adamantyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-adamantyl)-1-[(4-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-adamantyl)-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-adamantyl)-1-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H38N2O2/c1-2-29-24-5-3-18(4-6-24)16-26-8-9-27(17-23(26)7-10-28)25-21-12-19-11-20(14-21)15-22(25)13-19/h3-6,19-23,25,28H,2,7-17H2,1H3/p+1/t19?,20?,21?,22?,23-,25?/m0/s1