1-[5-(4-oxidanylpiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol chloride dihydrate

Systemtic Name: 1-[5-(4-oxidanylpiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol chloride dihydrate Openeye Name: 1-[5-(4-hydroxypiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol chloride dihydrate CAS Name: 1-[5-(4-hydroxy-1-piperidin-1-iumylidene)-1-cyclopenta-1,3-dienyl]-4-piperidinol chloride dihydrate IUPAC Name: 1-[5-(4-hydroxypiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol chloride dihydrate Traditional Name: 1-[5-(4-hydroxypiperidin-1-ium-1-ylidene)cyclopenta-1,3-dien-1-yl]piperidin-4-ol chloride dihydrate Formula: C15H27ClN2O4 MolecularWeight: 334.83888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=CC=CC2=[N+]3CCC(CC3)O.O.O.[Cl-]

Isomeric SMILES

C1CN(CCC1O)C2=CC=CC2=[N+]3CCC(CC3)O.O.O.[Cl-]

InChI

InChI=1S/C15H23N2O2.ClH.2H2O/c18-12-4-8-16(9-5-12)14-2-1-3-15(14)17-10-6-13(19)7-11-17;;;/h1-3,12-13,18-19H,4-11H2;1H;2*1H2/q+1;;;/p-1