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

Systemtic Name: 1-(4-methoxyphenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Openeye Name: 1-(4-methoxyphenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide CAS Name: 1-(4-methoxyphenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide IUPAC Name: 1-(4-methoxyphenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Traditional Name: 1-(4-methoxyphenyl)-3-methyl-2-phenyl-4,5,6,7-tetrahydro-1,3-diazepin-3-ium iodide Formula: C19H23IN2O MolecularWeight: 422.30319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N2O.HI/c1-20-14-6-7-15-21(17-10-12-18(22-2)13-11-17)19(20)16-8-4-3-5-9-16;/h3-5,8-13H,6-7,14-15H2,1-2H3;1H/q+1;/p-1