1-butyl-1-methyl-4-phenyl-piperidin-1-ium-4-carbaldehyde iodide

Systemtic Name: 1-butyl-1-methyl-4-phenyl-piperidin-1-ium-4-carbaldehyde iodide Openeye Name: 1-butyl-1-methyl-4-phenyl-piperidin-1-ium-4-carbaldehyde iodide CAS Name: 1-butyl-1-methyl-4-phenyl-4-piperidin-1-iumcarboxaldehyde iodide IUPAC Name: 1-butyl-1-methyl-4-phenylpiperidin-1-ium-4-carbaldehyde iodide Traditional Name: 1-butyl-1-methyl-4-phenyl-piperidin-1-ium-4-carbaldehyde iodide Formula: C17H26INO MolecularWeight: 387.29891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C.[I-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C17H26NO.HI/c1-3-4-12-18(2)13-10-17(15-19,11-14-18)16-8-6-5-7-9-16;/h5-9,15H,3-4,10-14H2,1-2H3;1H/q+1;/p-1