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

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(2-pyrrolidinophenyl)acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H31N3O3/c29-25(26-20-7-1-2-8-22(20)27-12-3-4-13-27)18-28-14-5-9-21(28)19-10-11-23-24(17-19)31-16-6-15-30-23/h1-2,7-8,10-11,17,21H,3-6,9,12-16,18H2,(H,26,29)/p+1/t21-/m0/s1