N-(1-adamantylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O2/c1-17-4-2-3-5-21(17)28-8-6-27(7-9-28)16-22(29)25-23(30)26-24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-20H,6-16H2,1H3,(H2,25,26,29,30)/p+1