2-(1-adamantyl)-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]acetamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O2/c1-19-3-2-4-20(9-19)18-28-5-7-29(8-6-28)25(31)17-27-24(30)16-26-13-21-10-22(14-26)12-23(11-21)15-26/h2-4,9,21-23H,5-8,10-18H2,1H3,(H,27,30)/p+1