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

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c25-22(23-18-6-2-1-3-7-18)11-13-24-12-4-8-19(24)17-9-10-20-21(16-17)27-15-5-14-26-20/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,23,25)/p+1/t19-/m0/s1