(2S)-4-methyl-2-phenyl-1-[[(3R)-piperidin-1-ium-3-yl]methyl]piperazine-1,4-diium

Systemtic Name: (2S)-4-methyl-2-phenyl-1-[[(3R)-piperidin-1-ium-3-yl]methyl]piperazine-1,4-diium Openeye Name: (2S)-4-methyl-2-phenyl-1-[[(3R)-piperidin-1-ium-3-yl]methyl]piperazine-1,4-diium CAS Name: (2S)-4-methyl-2-phenyl-1-[[(3R)-3-piperidin-1-iumyl]methyl]piperazine-1,4-diium IUPAC Name: (2S)-4-methyl-2-phenyl-1-[[(3R)-piperidin-1-ium-3-yl]methyl]piperazine-1,4-diium Traditional Name: (2S)-4-methyl-2-phenyl-1-[[(3R)-piperidin-1-ium-3-yl]methyl]piperazine-1,4-diium Formula: C17H30N3+3 MolecularWeight: 276.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CC3CCC[NH2+]C3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)C[C@@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H27N3/c1-19-10-11-20(13-15-6-5-9-18-12-15)17(14-19)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3/p+3/t15-,17-/m1/s1