[1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethyl-azanium chloride

Systemtic Name: [1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethyl-azanium chloride Openeye Name: [1,3-bis[(1S)-1-phenylethyl]hexahydropyrimidin-2-ylidene]-dimethyl-ammonium chloride CAS Name: [1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylammonium chloride IUPAC Name: [1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylazanium chloride Traditional Name: [1,3-bis[(1S)-1-phenylethyl]hexahydropyrimidin-2-ylidene]-dimethyl-ammonium chloride Formula: C22H30ClN3 MolecularWeight: 371.9467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCCN(C2=[N+](C)C)C(C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CCCN(C2=[N+](C)C)[C@@H](C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H30N3.ClH/c1-18(20-12-7-5-8-13-20)24-16-11-17-25(22(24)23(3)4)19(2)21-14-9-6-10-15-21;/h5-10,12-15,18-19H,11,16-17H2,1-4H3;1H/q+1;/p-1/t18-,19-;/m0./s1