N-[3,5-bis(chloranyl)phenyl]-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carboxamide Formula: C18H18Cl2N5O+ MolecularWeight: 391.27442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C18H17Cl2N5O/c19-14-8-15(20)10-16(9-14)23-18(26)25-5-1-4-24(6-7-25)17-3-2-13(11-21)12-22-17/h2-3,8-10,12H,1,4-7H2,(H,23,26)/p+1