N-(3,4-dichlorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carboxamide

Systemtic Name: N-(3,4-dichlorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carboxamide Openeye Name: 3-benzyl-N-(3,4-dichlorophenyl)hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: 3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinan-3-ium-1-carboxamide Traditional Name: 3-benzyl-N-(3,4-dichlorophenyl)hexahydropyrimidin-3-ium-1-carboxamide Formula: C18H20Cl2N3O+ MolecularWeight: 365.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H19Cl2N3O/c19-16-8-7-15(11-17(16)20)21-18(24)23-10-4-9-22(13-23)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)/p+1