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

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide Openeye Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide CAS Name: 2-(1-ethyl-1-piperidin-1-iumyl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide Traditional Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide Formula: C23H40BrN2O4- MolecularWeight: 488.4787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.C9H20NO.BrH/c1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;1-2-10(8-9-11)6-4-3-5-7-10;/h6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);11H,2-9H2,1H3;1H/q;+1;/p-2