1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide

Systemtic Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Openeye Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide CAS Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide IUPAC Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Traditional Name: 1-methyl-2,3-diphenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Formula: C18H21IN2 MolecularWeight: 392.27721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2.HI/c1-19-14-8-9-15-20(17-12-6-3-7-13-17)18(19)16-10-4-2-5-11-16;/h2-7,10-13H,8-9,14-15H2,1H3;1H/q+1;/p-1