2-(1-octylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide

Systemtic Name: 2-(1-octylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide Openeye Name: 2-(1-octylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide CAS Name: 2-(1-octyl-1-piperidin-1-iumyl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide IUPAC Name: 2-(1-octylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide Traditional Name: N-(2-amoxyphenyl)carbamate; 2-(1-octylpiperidin-1-ium-1-yl)ethanol; bromide Formula: C27H48BrN2O4- MolecularWeight: 544.58502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCCCC1)CCO.CCCCCOC1=CC=CC=C1NC(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCC[N+]1(CCCCC1)CCO.CCCCCOC1=CC=CC=C1NC(=O)[O-].[Br-]

InChI

InChI=1S/C15H32NO.C12H17NO3.BrH/c1-2-3-4-5-6-8-11-16(14-15-17)12-9-7-10-13-16;1-2-3-6-9-16-11-8-5-4-7-10(11)13-12(14)15;/h17H,2-15H2,1H3;4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15);1H/q+1;;/p-2