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

Systemtic Name: N-(2-heptoxyphenyl)carbamate; 2-(1-octylpiperidin-1-ium-1-yl)ethanol; bromide Openeye Name: N-(2-heptoxyphenyl)carbamate; 2-(1-octylpiperidin-1-ium-1-yl)ethanol; bromide CAS Name: N-(2-heptoxyphenyl)carbamate; 2-(1-octyl-1-piperidin-1-iumyl)ethanol; bromide IUPAC Name: N-(2-heptoxyphenyl)carbamate; 2-(1-octylpiperidin-1-ium-1-yl)ethanol; bromide Traditional Name: N-(2-heptoxyphenyl)carbamate; 2-(1-octylpiperidin-1-ium-1-yl)ethanol; bromide Formula: C29H52BrN2O4- MolecularWeight: 572.63818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H32NO.C14H21NO3.BrH/c1-2-3-4-5-6-8-11-16(14-15-17)12-9-7-10-13-16;1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;/h17H,2-15H2,1H3;6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);1H/q+1;;/p-2