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

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-(o-tolyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-ethyl-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-ethyl-N-(o-tolyl)acetamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H30N2O3/c1-3-26(20-9-5-4-8-18(20)2)24(27)17-25-13-6-10-21(25)19-11-12-22-23(16-19)29-15-7-14-28-22/h4-5,8-9,11-12,16,21H,3,6-7,10,13-15,17H2,1-2H3/p+1/t21-/m0/s1