2-(4-chloranylphenoxy)ethyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+](C)CCOC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)C[NH+](C)CCOC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H22ClN3O2/c1-16(2,12-18)20(4)15(21)11-19(3)9-10-22-14-7-5-13(17)6-8-14/h5-8H,9-11H2,1-4H3/p+1