N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2/c1-18(26-24(30)25-14-20-11-21(15-25)13-22(12-20)16-25)23(29)28-9-7-27(8-10-28)17-19-5-3-2-4-6-19/h2-6,18,20-22H,7-17H2,1H3,(H,26,30)/p+1/t18-,20?,21?,22?,25?/m0/s1