1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methyl-penta-1,3-dienyl]azepane chloride

Systemtic Name: 1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methyl-penta-1,3-dienyl]azepane chloride Openeye Name: 1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methyl-penta-1,3-dienyl]azepane chloride CAS Name: 1-[(1E,3E)-5-(1-azepan-1-iumylidene)-4-methylpenta-1,3-dienyl]azepane chloride IUPAC Name: 1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride Traditional Name: 1-[(1E,3E)-5-(azepan-1-ium-1-ylidene)-4-methyl-penta-1,3-dienyl]azepane chloride Formula: C18H31ClN2 MolecularWeight: 310.90514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CN1CCCCCC1)C=[N+]2CCCCCC2.[Cl-]

Isomeric SMILES

C/C(=C\C=C\N1CCCCCC1)/C=[N+]2CCCCCC2.[Cl-]

InChI

InChI=1S/C18H31N2.ClH/c1-18(17-20-14-8-4-5-9-15-20)11-10-16-19-12-6-2-3-7-13-19;/h10-11,16-17H,2-9,12-15H2,1H3;1H/q+1;/p-1