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

Systemtic Name: N-(4-chlorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carboxamide Openeye Name: 3-benzyl-N-(4-chlorophenyl)hexahydropyrimidin-3-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-3-(phenylmethyl)-1,3-diazinan-3-ium-1-carboxamide IUPAC Name: 3-benzyl-N-(4-chlorophenyl)-1,3-diazinan-3-ium-1-carboxamide Traditional Name: 3-benzyl-N-(4-chlorophenyl)hexahydropyrimidin-3-ium-1-carboxamide Formula: C18H21ClN3O+ MolecularWeight: 330.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O/c19-16-7-9-17(10-8-16)20-18(23)22-12-4-11-21(14-22)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,20,23)/p+1