1-[9-(4-iodophenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride

Systemtic Name: 1-[9-(4-iodophenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Openeye Name: 1-[9-(4-iodophenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride CAS Name: 1-[9-(4-iodophenyl)-6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine chloride IUPAC Name: 1-[9-(4-iodophenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine chloride Traditional Name: 1-[9-(4-iodophenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Formula: C29H30ClIN2O MolecularWeight: 584.91877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=C(C=C6)I.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=C(C=C6)I.[Cl-]

InChI

InChI=1S/C29H30IN2O.ClH/c30-22-9-7-21(8-10-22)29-25-13-11-23(31-15-3-1-4-16-31)19-27(25)33-28-20-24(12-14-26(28)29)32-17-5-2-6-18-32;/h7-14,19-20H,1-6,15-18H2;1H/q+1;/p-1