2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethyl-azanium

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethyl-azanium Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethyl-ammonium CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethylammonium IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethylazanium Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethyl-dimethyl-ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[NH+](C)CCNC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H20N2O2/c1-15(2)7-6-14-11-4-5-12-13(10-11)17-9-3-8-16-12/h4-5,10,14H,3,6-9H2,1-2H3/p+1