2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-iodophenyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-iodophenyl)acetamide Formula: C21H24IN2O3+ MolecularWeight: 479.33133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=C(C=C2)I)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=C(C=C2)I)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23IN2O3/c22-16-5-7-17(8-6-16)23-21(25)14-24-10-1-3-18(24)15-4-9-19-20(13-15)27-12-2-11-26-19/h4-9,13,18H,1-3,10-12,14H2,(H,23,25)/p+1/t18-/m0/s1