octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride

Systemtic Name: octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride Openeye Name: 1-methylheptyl-[2-(phenylcarbamoyloxy)ethyl]ammonium chloride CAS Name: 2-[anilino(oxo)methoxy]ethyl-octan-2-ylammonium chloride IUPAC Name: octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride Traditional Name: 1-methylheptyl-[2-(phenylcarbamoyloxy)ethyl]ammonium chloride Formula: C17H29ClN2O2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCOC(=O)NC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCC(C)[NH2+]CCOC(=O)NC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C17H28N2O2.ClH/c1-3-4-5-7-10-15(2)18-13-14-21-17(20)19-16-11-8-6-9-12-16;/h6,8-9,11-12,15,18H,3-5,7,10,13-14H2,1-2H3,(H,19,20);1H