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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3,5-dichloro-4-pyridin-1-iumyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C21H21Cl2N4O+ MolecularWeight: 416.32364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=C(C=[NH+]C=C4Cl)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=C(C=[NH+]C=C4Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O/c22-17-13-24-14-18(23)20(17)26-9-4-10-27(12-11-26)21(28)25-19-8-3-6-15-5-1-2-7-16(15)19/h1-3,5-8,13-14H,4,9-12H2,(H,25,28)/p+1