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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-chloranyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-chloro-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-chlorobenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-chlorobenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-chloro-benzamide Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4/c21-16-4-1-14(2-5-16)20(24)22-12-17(23-7-9-25-10-8-23)15-3-6-18-19(11-15)27-13-26-18/h1-6,11,17H,7-10,12-13H2,(H,22,24)/p+1/t17-/m1/s1