2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol iodide Formula: C15H22IN3O2 MolecularWeight: 403.25855

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)C2=NC3=CC=CC=C3O2)CCO.[I-]

Isomeric SMILES

C[N+]1(CCCN(CC1)C2=NC3=CC=CC=C3O2)CCO.[I-]

InChI

InChI=1S/C15H22N3O2.HI/c1-18(11-12-19)9-4-7-17(8-10-18)15-16-13-5-2-3-6-14(13)20-15;/h2-3,5-6,19H,4,7-12H2,1H3;1H/q+1;/p-1