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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3,5-dichloro-4-pyridin-1-iumyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C17H19Cl2N4O+ MolecularWeight: 366.26496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=[NH+]C=C3Cl)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=C(C=[NH+]C=C3Cl)Cl

InChI

InChI=1S/C17H18Cl2N4O/c18-14-11-20-12-15(19)16(14)22-7-4-8-23(10-9-22)17(24)21-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,21,24)/p+1