[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-ammonium Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[NH2+]CC(=O)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C12H16N2O3/c1-13-8-12(15)14-9-3-4-10-11(7-9)17-6-2-5-16-10/h3-4,7,13H,2,5-6,8H2,1H3,(H,14,15)/p+1