1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diazinan-2-one

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diazinan-2-one Openeye Name: 1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]hexahydropyrimidin-2-one CAS Name: 1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-diazinan-2-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1,3-diazinan-2-one Traditional Name: 1-(3,4-dichlorophenyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]hexahydropyrimidin-2-one Formula: C22H26Cl2N3O+ MolecularWeight: 419.36734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)N3CCCN(C3=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=CC=C2)N3CCCN(C3=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O/c23-19-10-9-18(15-20(19)24)26-13-6-14-27(22(26)28)21(16-25-11-4-5-12-25)17-7-2-1-3-8-17/h1-3,7-10,15,21H,4-6,11-14,16H2/p+1/t21-/m1/s1