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

Systemtic Name: 1-[9-(2-methylphenyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine chloride Openeye Name: 1-[9-(o-tolyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine chloride CAS Name: 1-[9-(2-methylphenyl)-6-(1-pyrrolidin-1-iumylidene)-3-xanthenyl]pyrrolidine chloride IUPAC Name: 1-[9-(2-methylphenyl)-6-pyrrolidin-1-ium-1-ylidenexanthen-3-yl]pyrrolidine chloride Traditional Name: 1-[9-(o-tolyl)-6-pyrrolidin-1-ium-1-ylidene-xanthen-3-yl]pyrrolidine chloride Formula: C28H29ClN2O MolecularWeight: 444.99566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCC4)C=C3OC5=C2C=CC(=C5)N6CCCC6.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCCC4)C=C3OC5=C2C=CC(=C5)N6CCCC6.[Cl-]

InChI

InChI=1S/C28H29N2O.ClH/c1-20-8-2-3-9-23(20)28-24-12-10-21(29-14-4-5-15-29)18-26(24)31-27-19-22(11-13-25(27)28)30-16-6-7-17-30;/h2-3,8-13,18-19H,4-7,14-17H2,1H3;1H/q+1;/p-1