[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(2-cyanoethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(2-cyanoethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NCCC#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NCCC#N

InChI

InChI=1S/C16H21N3O2/c1-3-11-21-15-7-5-14(6-8-15)12-19(2)13-16(20)18-10-4-9-17/h3,5-8H,1,4,10-13H2,2H3,(H,18,20)/p+1