(2S,6S)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazin-4-ium

Systemtic Name: (2S,6S)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazin-4-ium Openeye Name: (2S,6S)-4-(1-adamantyl)-1-benzyl-2,6-diethynyl-piperazin-4-ium CAS Name: (2S,6S)-4-(1-adamantyl)-2,6-diethynyl-1-(phenylmethyl)piperazin-4-ium IUPAC Name: (2S,6S)-4-(1-adamantyl)-1-benzyl-2,6-diethynylpiperazin-4-ium Traditional Name: (2S,6S)-4-(1-adamantyl)-1-benzyl-2,6-diethynyl-piperazin-4-ium Formula: C25H31N2+ MolecularWeight: 359.52704

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C[NH+](CC(N1CC2=CC=CC=C2)C#C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C#C[C@H]1C[NH+](C[C@@H](N1CC2=CC=CC=C2)C#C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2/c1-3-23-17-26(25-13-20-10-21(14-25)12-22(11-20)15-25)18-24(4-2)27(23)16-19-8-6-5-7-9-19/h1-2,5-9,20-24H,10-18H2/p+1/t20?,21?,22?,23-,24-,25?/m0/s1