(2S,6S)-2,6-diethynyl-1-methyl-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: (2S,6S)-2,6-diethynyl-1-methyl-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: (2S,6S)-4-benzyl-2,6-diethynyl-1-methyl-piperazine-1,4-diium CAS Name: (2S,6S)-2,6-diethynyl-1-methyl-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: (2S,6S)-4-benzyl-2,6-diethynyl-1-methylpiperazine-1,4-diium Traditional Name: (2S,6S)-4-benzyl-2,6-diethynyl-1-methyl-piperazine-1,4-diium Formula: C16H20N2+2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(C[NH+](CC1C#C)CC2=CC=CC=C2)C#C

Isomeric SMILES

C[NH+]1[C@H](C[NH+](C[C@@H]1C#C)CC2=CC=CC=C2)C#C

InChI

InChI=1S/C16H18N2/c1-4-15-12-18(13-16(5-2)17(15)3)11-14-9-7-6-8-10-14/h1-2,6-10,15-16H,11-13H2,3H3/p+2/t15-,16-/m0/s1