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

Systemtic Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-adamantyl)-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-adamantyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H37N2O+ MolecularWeight: 369.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H36N2O/c1-17-4-2-3-5-20(17)15-25-7-8-26(16-23(25)6-9-27)24-21-11-18-10-19(13-21)14-22(24)12-18/h2-5,18-19,21-24,27H,6-16H2,1H3/p+1/t18?,19?,21?,22?,23-,24?/m0/s1