2-morpholin-4-ium-4-ylethyl 3-methylbenzoate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3-methylbenzoate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC[NH+]2CCOCC2

InChI

InChI=1S/C14H19NO3/c1-12-3-2-4-13(11-12)14(16)18-10-7-15-5-8-17-9-6-15/h2-4,11H,5-10H2,1H3/p+1