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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3,5-dichloro-4-pyridin-1-iumyl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-(3,5-dichloropyridin-1-ium-4-yl)-1,4-diazepane-1-carboxamide Formula: C24H25Cl2N4O2+ MolecularWeight: 472.3869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=[NH+]C=C4Cl)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=[NH+]C=C4Cl)Cl

InChI

InChI=1S/C24H24Cl2N4O2/c25-21-15-27-16-22(26)23(21)29-11-4-12-30(14-13-29)24(31)28-19-7-9-20(10-8-19)32-17-18-5-2-1-3-6-18/h1-3,5-10,15-16H,4,11-14,17H2,(H,28,31)/p+1