2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methoxybenzoate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methoxybenzoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H24NO3/c1-17(10-4-3-5-11-17)12-13-20-16(18)14-6-8-15(19-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3/q+1