[4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(3,5-dichloro-4-pyridin-1-iumyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C17H18Cl2N3O+ MolecularWeight: 351.25032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O/c18-14-11-20-12-15(19)16(14)21-7-4-8-22(10-9-21)17(23)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2/p+1