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9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate iodide

9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name:9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate iodide
Openeye Name:9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate iodide
CAS Name:1-methyl-3-pyridin-1-iumcarboxylic acid 9-(1-indolyl)nonyl ester iodide
IUPAC Name:9-indol-1-ylnonyl 1-methylpyridin-1-ium-3-carboxylate iodide
Traditional Name:1-methylpyridin-1-ium-3-carboxylic acid 9-indol-1-ylnonyl ester iodide
Formula: C24H31IN2O2
MolecularWeight: 506.41961
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=CC=CC=C32.[I-]


Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCN2C=CC3=CC=CC=C32.[I-]


InChI

InChI=1S/C24H31N2O2.HI/c1-25-16-11-13-22(20-25)24(27)28-19-10-6-4-2-3-5-9-17-26-18-15-21-12-7-8-14-23(21)26;/h7-8,11-16,18,20H,2-6,9-10,17,19H2,1H3;1H/q+1;/p-1


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