(1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate

Systemtic Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate Openeye Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid (1-ethyl-1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-ethyl-1-methylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid (1-ethyl-1-methyl-piperidin-1-ium-4-yl) ester Formula: C20H32NO2+ MolecularWeight: 318.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)CC

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)CC

InChI

InChI=1S/C20H32NO2/c1-5-16(3)19(17-10-8-7-9-11-17)20(22)23-18-12-14-21(4,6-2)15-13-18/h7-11,16,18-19H,5-6,12-15H2,1-4H3/q+1