1-pentan-3-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-pentan-3-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-pentan-3-yl-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-pentan-3-yl-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C15H28N3+3 MolecularWeight: 250.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3/c1-3-15(4-2)18-10-8-17(9-11-18)13-14-6-5-7-16-12-14/h5-7,12,15H,3-4,8-11,13H2,1-2H3/p+3