[4-[2-cyanoethyl(methyl)carbamoyl]phenyl]methylazanium

Systemtic Name: [4-[2-cyanoethyl(methyl)carbamoyl]phenyl]methylazanium Openeye Name: [4-[2-cyanoethyl(methyl)carbamoyl]phenyl]methylammonium CAS Name: [4-[[2-cyanoethyl(methyl)amino]-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[2-cyanoethyl(methyl)carbamoyl]phenyl]methylazanium Traditional Name: [4-[2-cyanoethyl(methyl)carbamoyl]benzyl]ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C12H15N3O/c1-15(8-2-7-13)12(16)11-5-3-10(9-14)4-6-11/h3-6H,2,8-9,14H2,1H3/p+1