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

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide Traditional Name: N-(2-amoxyphenyl)carbamate; 2-(1-methylpiperidin-1-ium-1-yl)ethanol; bromide Formula: C20H34BrN2O4- MolecularWeight: 446.39896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3.C8H18NO.BrH/c1-2-3-6-9-16-11-8-5-4-7-10(11)13-12(14)15;1-9(7-8-10)5-3-2-4-6-9;/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15);10H,2-8H2,1H3;1H/q;+1;/p-2