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

Systemtic Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride Openeye Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride CAS Name: 1-[9-(2,6-dimethoxyphenyl)-6-(1-piperazin-1-iumylidene)-3-xanthenyl]piperazine chloride IUPAC Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperazin-1-ium-1-ylidenexanthen-3-yl]piperazine chloride Traditional Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperazin-1-ium-1-ylidene-xanthen-3-yl]piperazine chloride Formula: C29H33ClN4O3 MolecularWeight: 521.05032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6.[Cl-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C3C=CC(=[N+]4CCNCC4)C=C3OC5=C2C=CC(=C5)N6CCNCC6.[Cl-]

InChI

InChI=1S/C29H33N4O3.ClH/c1-34-24-4-3-5-25(35-2)29(24)28-22-8-6-20(32-14-10-30-11-15-32)18-26(22)36-27-19-21(7-9-23(27)28)33-16-12-31-13-17-33;/h3-9,18-19,30-31H,10-17H2,1-2H3;1H/q+1;/p-1