[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-cyclopropyl-(p-tolylmethyl)ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-cyclopropyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-cyclopropyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-cyclopropyl-(4-methylbenzyl)ammonium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC(=O)NCCC#N)C2CC2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC(=O)NCCC#N)C2CC2

InChI

InChI=1S/C16H21N3O/c1-13-3-5-14(6-4-13)11-19(15-7-8-15)12-16(20)18-10-2-9-17/h3-6,15H,2,7-8,10-12H2,1H3,(H,18,20)/p+1