(2S)-N-(1-adamantylcarbamoyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-(4-benzylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-(4-benzylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-(4-benzylpiperazin-1-ium-1-yl)propionamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H36N4O2/c1-18(29-9-7-28(8-10-29)17-19-5-3-2-4-6-19)23(30)26-24(31)27-25-14-20-11-21(15-25)13-22(12-20)16-25/h2-6,18,20-22H,7-17H2,1H3,(H2,26,27,30,31)/p+1/t18-,20?,21?,22?,25?/m0/s1