(2S)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2S)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)propanoate CAS Name: (2S)-3-[4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(2-thienyl)propionate Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=CC=C(C=C2)CC(C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=CC=C(C=C2)C[C@H](C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C19H23NO4S/c21-19(22)17(18-2-1-13-25-18)14-15-3-5-16(6-4-15)24-12-9-20-7-10-23-11-8-20/h1-6,13,17H,7-12,14H2,(H,21,22)/t17-/m1/s1