7-chloranyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-piperonylamide Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4/c21-16-10-15(11-18-19(16)27-13-26-18)20(24)22-17(14-4-2-1-3-5-14)12-23-6-8-25-9-7-23/h1-5,10-11,17H,6-9,12-13H2,(H,22,24)/p+1/t17-/m0/s1