3-(1-methylpiperidin-1-ium-1-yl)-N-[8-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]propanamide diiodide

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-[8-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]propanamide diiodide Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-[8-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-9,10-dioxo-1-anthryl]propanamide diiodide CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-N-[8-[[3-(1-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-9,10-dioxo-1-anthracenyl]propanamide diiodide IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-N-[8-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide diiodide Traditional Name: N-[9,10-diketo-8-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1-anthryl]-3-(1-methylpiperidin-1-ium-1-yl)propionamide diiodide Formula: C32H42I2N4O4 MolecularWeight: 800.50922

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC(=O)CC[N+]5(CCCCC5)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC(=O)CC[N+]5(CCCCC5)C.[I-].[I-]

InChI

InChI=1S/C32H40N4O4.2HI/c1-35(17-5-3-6-18-35)21-15-27(37)33-25-13-9-11-23-29(25)32(40)30-24(31(23)39)12-10-14-26(30)34-28(38)16-22-36(2)19-7-4-8-20-36;;/h9-14H,3-8,15-22H2,1-2H3;2*1H