N-(1-methyl-4-piperidin-1-ium-1-yl-1-undecyl-xanthen-9-yl)methanamide iodide

Systemtic Name: N-(1-methyl-4-piperidin-1-ium-1-yl-1-undecyl-xanthen-9-yl)methanamide iodide Openeye Name: N-(1-methyl-4-piperidin-1-ium-1-yl-1-undecyl-xanthen-9-yl)formamide iodide CAS Name: N-[1-methyl-4-(1-piperidin-1-iumyl)-1-undecyl-9-xanthenyl]formamide iodide IUPAC Name: N-(1-methyl-4-piperidin-1-ium-1-yl-1-undecylxanthen-9-yl)formamide iodide Traditional Name: N-(1-methyl-4-piperidin-1-ium-1-yl-1-undecyl-xanthen-9-yl)formamide iodide Formula: C31H45IN2O2 MolecularWeight: 604.60567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)C.[I-]

Isomeric SMILES

CCCCCCCCCCCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)C.[I-]

InChI

InChI=1S/C31H44N2O2.HI/c1-3-4-5-6-7-8-9-10-14-20-31(2)21-19-26(33-22-15-11-16-23-33)30-28(31)29(32-24-34)25-17-12-13-18-27(25)35-30;/h12-13,17-19,21,24H,3-11,14-16,20,22-23H2,1-2H3,(H,32,34);1H