3-perchloryloxy-2-(phenylmethyl)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-perchloryloxy-2-(phenylmethyl)-4-(trimethylazaniumyl)butanoate Openeye Name: 2-benzyl-3-perchloryloxy-4-(trimethylammonio)butanoate CAS Name: 3-perchloryloxy-2-(phenylmethyl)-4-(trimethylammonio)butanoate IUPAC Name: 2-benzyl-3-perchloryloxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-benzyl-3-perchloryloxy-4-(trimethylammonio)butyrate Formula: C14H20ClNO6 MolecularWeight: 333.7647

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(CC1=CC=CC=C1)C(=O)[O-])OCl(=O)(=O)=O

Isomeric SMILES

C[N+](C)(C)CC(C(CC1=CC=CC=C1)C(=O)[O-])OCl(=O)(=O)=O

InChI

InChI=1S/C14H20ClNO6/c1-16(2,3)10-13(22-15(19,20)21)12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3