3-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(1S)-1-methylpropyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(2S)-butan-2-yl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(2S)-butan-2-yl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[(1S)-1-methylpropyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Formula: C17H27N3+2 MolecularWeight: 273.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H25N3/c1-3-14(2)20-10-8-19(9-11-20)13-15-12-18-17-7-5-4-6-16(15)17/h4-7,12,14,18H,3,8-11,13H2,1-2H3/p+2/t14-/m0/s1