1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide

Systemtic Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Openeye Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide CAS Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide IUPAC Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Traditional Name: 1-(4-chlorophenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Formula: C18H20ClIN2 MolecularWeight: 426.72227

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(CCCC1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=C(N(CCCC1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H20ClN2.HI/c1-20-13-5-6-14-21(17-11-9-16(19)10-12-17)18(20)15-7-3-2-4-8-15;/h2-4,7-12H,5-6,13-14H2,1H3;1H/q+1;/p-1