1-(azocan-1-yl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-(1-azocanyl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H30N2O3/c24-21(22-10-4-2-1-3-5-11-22)16-23-12-6-7-18(23)17-8-9-19-20(15-17)26-14-13-25-19/h8-9,15,18H,1-7,10-14,16H2/p+1/t18-/m0/s1