decyl 2-(1-heptylazepan-1-ium-1-yl)ethanoate chloride

Systemtic Name: decyl 2-(1-heptylazepan-1-ium-1-yl)ethanoate chloride Openeye Name: decyl 2-(1-heptylazepan-1-ium-1-yl)acetate chloride CAS Name: 2-(1-heptyl-1-azepan-1-iumyl)acetic acid decyl ester chloride IUPAC Name: decyl 2-(1-heptylazepan-1-ium-1-yl)acetate chloride Traditional Name: 2-(1-heptylazepan-1-ium-1-yl)acetic acid decyl ester chloride Formula: C25H50ClNO2 MolecularWeight: 432.123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1(CCCCCC1)CCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1(CCCCCC1)CCCCCCC.[Cl-]

InChI

InChI=1S/C25H50NO2.ClH/c1-3-5-7-9-10-11-15-19-23-28-25(27)24-26(20-16-12-8-6-4-2)21-17-13-14-18-22-26;/h3-24H2,1-2H3;1H/q+1;/p-1