2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-phenylcarbamate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-phenylcarbamate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)NC1=CC=CC=C1)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CN(CCOC(=O)NC1=CC=CC=C1)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C16H16N4O2/c1-20(15-8-7-13(11-17)12-18-15)9-10-22-16(21)19-14-5-3-2-4-6-14/h2-8,12H,9-10H2,1H3,(H,19,21)/p+1