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

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-phenyl-acetamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O3/c1-2-25(19-8-4-3-5-9-19)23(26)17-24-13-6-10-20(24)18-11-12-21-22(16-18)28-15-7-14-27-21/h3-5,8-9,11-12,16,20H,2,6-7,10,13-15,17H2,1H3/p+1/t20-/m0/s1