1-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride

Systemtic Name: 1-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Openeye Name: 1-[9-(o-tolyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride CAS Name: 1-[9-(2-methylphenyl)-6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine chloride IUPAC Name: 1-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine chloride Traditional Name: 1-[9-(o-tolyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Formula: C30H33ClN2O MolecularWeight: 473.04882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCCCC6.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCCCC6.[Cl-]

InChI

InChI=1S/C30H33N2O.ClH/c1-22-10-4-5-11-25(22)30-26-14-12-23(31-16-6-2-7-17-31)20-28(26)33-29-21-24(13-15-27(29)30)32-18-8-3-9-19-32;/h4-5,10-15,20-21H,2-3,6-9,16-19H2,1H3;1H/q+1;/p-1