N-(2-heptoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydrobromide

Systemtic Name: N-(2-heptoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydrobromide Openeye Name: N-(2-heptoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydrobromide CAS Name: N-(2-heptoxyphenyl)carbamate; 2-(1-methyl-1-piperidin-1-iumyl)ethanol; hydrobromide IUPAC Name: N-(2-heptoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydrobromide Traditional Name: N-(2-heptoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; hydrobromide Formula: C22H39BrN2O4 MolecularWeight: 475.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.C8H18NO.BrH/c1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;1-9(7-8-10)5-3-2-4-6-9;/h6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);10H,2-8H2,1H3;1H/q;+1;/p-1