1-ethyl-1-methyl-piperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide

Systemtic Name: 1-ethyl-1-methyl-piperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide Openeye Name: 1-ethyl-1-methyl-piperidin-1-ium-4-ol; 3-methyl-2-phenyl-pentanoate; hydrobromide CAS Name: 1-ethyl-1-methyl-4-piperidin-1-iumol; 3-methyl-2-phenylpentanoate; hydrobromide IUPAC Name: 1-ethyl-1-methylpiperidin-1-ium-4-ol; 3-methyl-2-phenylpentanoate; hydrobromide Traditional Name: 1-ethyl-1-methyl-piperidin-1-ium-4-ol; 3-methyl-2-phenyl-valerate; hydrobromide Formula: C20H34BrNO3 MolecularWeight: 416.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].CC[N+]1(CCC(CC1)O)C.Br

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)[O-].CC[N+]1(CCC(CC1)O)C.Br

InChI

InChI=1S/C12H16O2.C8H18NO.BrH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-3-9(2)6-4-8(10)5-7-9;/h4-9,11H,3H2,1-2H3,(H,13,14);8,10H,3-7H2,1-2H3;1H/q;+1;/p-1