1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidene-penta-1,3-dienyl]piperidine chloride hydrate

Systemtic Name: 1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidene-penta-1,3-dienyl]piperidine chloride hydrate Openeye Name: 1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidene-penta-1,3-dienyl]piperidine chloride hydrate CAS Name: 1-[(1E,3E)-4-methyl-5-(1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine chloride hydrate IUPAC Name: 1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine chloride hydrate Traditional Name: 1-[(1E,3E)-4-methyl-5-piperidin-1-ium-1-ylidene-penta-1,3-dienyl]piperidine chloride hydrate Formula: C16H29ClN2O MolecularWeight: 300.86726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CN1CCCCC1)C=[N+]2CCCCC2.O.[Cl-]

Isomeric SMILES

C/C(=C\C=C\N1CCCCC1)/C=[N+]2CCCCC2.O.[Cl-]

InChI

InChI=1S/C16H27N2.ClH.H2O/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17;;/h8-9,14-15H,2-7,10-13H2,1H3;1H;1H2/q+1;;/p-1