N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]thiophene-2-carboxamide Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O4S/c21-18(17-2-1-9-25-17)19-11-14(20-5-7-22-8-6-20)13-3-4-15-16(10-13)24-12-23-15/h1-4,9-10,14H,5-8,11-12H2,(H,19,21)/p+1/t14-/m1/s1