1-(9-phenyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine chloride

Systemtic Name: 1-(9-phenyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine chloride Openeye Name: 1-(9-phenyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine chloride CAS Name: 1-[9-phenyl-6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine chloride IUPAC Name: 1-(9-phenyl-6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine chloride Traditional Name: 1-(9-phenyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine chloride Formula: C29H31ClN2O MolecularWeight: 459.02224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C29H31N2O.ClH/c1-4-10-22(11-5-1)29-25-14-12-23(30-16-6-2-7-17-30)20-27(25)32-28-21-24(13-15-26(28)29)31-18-8-3-9-19-31;/h1,4-5,10-15,20-21H,2-3,6-9,16-19H2;1H/q+1;/p-1