2-morpholin-4-ium-4-ylethyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-morpholin-4-ium-4-ylethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 2-(4-morpholin-4-iumyl)ethyl ester IUPAC Name: 2-morpholin-4-ium-4-ylethyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 2-morpholin-4-ium-4-ylethyl ester Formula: C15H17ClNO3S+ MolecularWeight: 326.81838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H16ClNO3S/c16-13-11-3-1-2-4-12(11)21-14(13)15(18)20-10-7-17-5-8-19-9-6-17/h1-4H,5-10H2/p+1