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

Systemtic Name: N-(2-heptoxyphenyl)carbamate; 2-(1-pentylpiperidin-1-ium-1-yl)ethanol; bromide Openeye Name: N-(2-heptoxyphenyl)carbamate; 2-(1-pentylpiperidin-1-ium-1-yl)ethanol; bromide CAS Name: N-(2-heptoxyphenyl)carbamate; 2-(1-pentyl-1-piperidin-1-iumyl)ethanol; bromide IUPAC Name: N-(2-heptoxyphenyl)carbamate; 2-(1-pentylpiperidin-1-ium-1-yl)ethanol; bromide Traditional Name: 2-(1-amylpiperidin-1-ium-1-yl)ethanol; N-(2-heptoxyphenyl)carbamate; bromide Formula: C26H46BrN2O4- MolecularWeight: 530.55844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3.C12H26NO.BrH/c1-2-3-4-5-8-11-18-13-10-7-6-9-12(13)15-14(16)17;1-2-3-5-8-13(11-12-14)9-6-4-7-10-13;/h6-7,9-10,15H,2-5,8,11H2,1H3,(H,16,17);14H,2-12H2,1H3;1H/q;+1;/p-2