(2-cyanophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (2-cyanophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (2-cyanophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (2-cyanophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (2-cyanophenyl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (2-cyanobenzyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1C#N)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1C#N)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21N3O3/c1-2-23(13-16-6-4-3-5-15(16)12-21)14-20(24)22-17-7-8-18-19(11-17)26-10-9-25-18/h3-8,11H,2,9-10,13-14H2,1H3,(H,22,24)/p+1