(3-cyanophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: (3-cyanophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: (3-cyanophenyl)methyl-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: (3-cyanobenzyl)-[2-(isobutyrylamino)ethyl]ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C14H19N3O/c1-11(2)14(18)17-7-6-16-10-13-5-3-4-12(8-13)9-15/h3-5,8,11,16H,6-7,10H2,1-2H3,(H,17,18)/p+1