4-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]morpholine chloride

Systemtic Name: 4-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]morpholine chloride Openeye Name: 4-[9-(o-tolyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]morpholine chloride CAS Name: 4-[9-(2-methylphenyl)-6-(1-piperidin-1-iumylidene)-3-xanthenyl]morpholine chloride IUPAC Name: 4-[9-(2-methylphenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]morpholine chloride Traditional Name: 4-[9-(o-tolyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]morpholine chloride Formula: C29H31ClN2O2 MolecularWeight: 475.02164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCOCC6.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCOCC6.[Cl-]

InChI

InChI=1S/C29H31N2O2.ClH/c1-21-7-3-4-8-24(21)29-25-11-9-22(30-13-5-2-6-14-30)19-27(25)33-28-20-23(10-12-26(28)29)31-15-17-32-18-16-31;/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3;1H/q+1;/p-1