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

Systemtic Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H33N3O2/c1-16-2-4-17(5-3-16)15-27-7-6-25-23(29)21(27)11-22(28)26-24-12-18-8-19(13-24)10-20(9-18)14-24/h2-5,18-21H,6-15H2,1H3,(H,25,29)(H,26,28)/p+1/t18?,19?,20?,21-,24?/m1/s1