(4,4-diethylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone iodide

Systemtic Name: (4,4-diethylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone iodide Openeye Name: (4,4-diethylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone iodide CAS Name: (4,4-diethyl-1-piperazin-4-iumyl)-(9H-xanthen-9-yl)methanone iodide IUPAC Name: (4,4-diethylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone iodide Traditional Name: (4,4-diethylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone iodide Formula: C22H27IN2O2 MolecularWeight: 478.36645

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC.[I-]

InChI

InChI=1S/C22H27N2O2.HI/c1-3-24(4-2)15-13-23(14-16-24)22(25)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21;/h5-12,21H,3-4,13-16H2,1-2H3;1H/q+1;/p-1