1-[(2R)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2R)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(1R)-1-methylpropyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(2R)-butan-2-yl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2R)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[(1R)-1-methylpropyl]-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C14H25N3+2 MolecularWeight: 235.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

CC[C@@H](C)[NH+]1CC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C14H23N3/c1-3-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15-11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/p+2/t13-/m1/s1