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

Systemtic Name: 1-methyl-3-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Openeye Name: 1-methyl-2-phenyl-3-(p-tolyl)-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide CAS Name: 1-methyl-3-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide IUPAC Name: 1-methyl-3-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Traditional Name: 1-methyl-2-phenyl-3-(p-tolyl)-4,5,6,7-tetrahydro-1,3-diazepin-1-ium iodide Formula: C19H23IN2 MolecularWeight: 406.30379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCCC[N+](=C2C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CCCC[N+](=C2C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C19H23N2.HI/c1-16-10-12-18(13-11-16)21-15-7-6-14-20(2)19(21)17-8-4-3-5-9-17;/h3-5,8-13H,6-7,14-15H2,1-2H3;1H/q+1;/p-1