N-(2-heptoxyphenyl)carbamate; 2-(1-nonylpiperidin-1-ium-1-yl)ethanol; bromide

Systemtic Name: N-(2-heptoxyphenyl)carbamate; 2-(1-nonylpiperidin-1-ium-1-yl)ethanol; bromide Openeye Name: N-(2-heptoxyphenyl)carbamate; 2-(1-nonylpiperidin-1-ium-1-yl)ethanol; bromide CAS Name: N-(2-heptoxyphenyl)carbamate; 2-(1-nonyl-1-piperidin-1-iumyl)ethanol; bromide IUPAC Name: N-(2-heptoxyphenyl)carbamate; 2-(1-nonylpiperidin-1-ium-1-yl)ethanol; bromide Traditional Name: N-(2-heptoxyphenyl)carbamate; 2-(1-nonylpiperidin-1-ium-1-yl)ethanol; bromide Formula: C30H54BrN2O4- MolecularWeight: 586.66476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1(CCCCC1)CCO.CCCCCCCOC1=CC=CC=C1NC(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCC[N+]1(CCCCC1)CCO.CCCCCCCOC1=CC=CC=C1NC(=O)[O-].[Br-]

InChI

InChI=1S/C16H34NO.C14H21NO3.BrH/c1-2-3-4-5-6-7-9-12-17(15-16-18)13-10-8-11-14-17;1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;/h18H,2-16H2,1H3;6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);1H/q+1;;/p-2