2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-(3-chlorophenyl)carbamate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-(3-chlorophenyl)carbamate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)carbamic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl N-(3-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C16H16ClN4O2+ MolecularWeight: 331.77684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2/c1-21(15-6-5-12(10-18)11-19-15)7-8-23-16(22)20-14-4-2-3-13(17)9-14/h2-6,9,11H,7-8H2,1H3,(H,20,22)/p+1