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

Systemtic Name: 1-[9-(2-methylphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride Openeye Name: 1-[9-(o-tolyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride CAS Name: 1-[9-(2-methylphenyl)-6-(1-piperazin-1-iumylidene)-3-xanthenyl]piperazine chloride IUPAC Name: 1-[9-(2-methylphenyl)-6-piperazin-1-ium-1-ylidenexanthen-3-yl]piperazine chloride Traditional Name: 1-[9-(o-tolyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride Formula: C28H31ClN4O MolecularWeight: 475.02494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6.[Cl-]

InChI

InChI=1S/C28H31N4O.ClH/c1-20-4-2-3-5-23(20)28-24-8-6-21(31-14-10-29-11-15-31)18-26(24)33-27-19-22(7-9-25(27)28)32-16-12-30-13-17-32;/h2-9,18-19,29-30H,10-17H2,1H3;1H/q+1;/p-1