N'-butyl-1-oxidanidyl-N-(2-oxidanyl-3-piperidin-1-yl-propoxy)pyridin-1-ium-4-carboximidamide

Systemtic Name: N'-butyl-1-oxidanidyl-N-(2-oxidanyl-3-piperidin-1-yl-propoxy)pyridin-1-ium-4-carboximidamide Openeye Name: N'-butyl-N-[2-hydroxy-3-(1-piperidyl)propoxy]-1-oxido-pyridin-1-ium-4-carboxamidine CAS Name: N'-butyl-N-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-oxido-4-pyridin-1-iumcarboximidamide IUPAC Name: N'-butyl-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-4-carboximidamide Traditional Name: N'-butyl-N-(2-hydroxy-3-piperidino-propoxy)-1-oxido-pyridin-1-ium-4-carboxamidine Formula: C18H30N4O3 MolecularWeight: 350.4558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=[N+](C=C1)[O-])NOCC(CN2CCCCC2)O

Isomeric SMILES

CCCCN=C(C1=CC=[N+](C=C1)[O-])NOCC(CN2CCCCC2)O

InChI

InChI=1S/C18H30N4O3/c1-2-3-9-19-18(16-7-12-22(24)13-8-16)20-25-15-17(23)14-21-10-5-4-6-11-21/h7-8,12-13,17,23H,2-6,9-11,14-15H2,1H3,(H,19,20)