N-(2-pentoxyphenyl)carbamate; 2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethanol; chloride

Systemtic Name: N-(2-pentoxyphenyl)carbamate; 2-[1-(phenylmethyl)piperidin-1-ium-1-yl]ethanol; chloride Openeye Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; chloride CAS Name: N-(2-pentoxyphenyl)carbamate; 2-[1-(phenylmethyl)-1-piperidin-1-iumyl]ethanol; chloride IUPAC Name: 2-(1-benzylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; chloride Traditional Name: N-(2-amoxyphenyl)carbamate; 2-(1-benzylpiperidin-1-ium-1-yl)ethanol; chloride Formula: C26H38ClN2O4- MolecularWeight: 478.04392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1NC(=O)[O-].C1CC[N+](CC1)(CCO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1NC(=O)[O-].C1CC[N+](CC1)(CCO)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H22NO.C12H17NO3.ClH/c16-12-11-15(9-5-2-6-10-15)13-14-7-3-1-4-8-14;1-2-3-6-9-16-11-8-5-4-7-10(11)13-12(14)15;/h1,3-4,7-8,16H,2,5-6,9-13H2;4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15);1H/q+1;;/p-2