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7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate iodide

7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name:7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate iodide
Openeye Name:7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate iodide
CAS Name:1-methyl-3-pyridin-1-iumcarboxylic acid 7-(1-indolyl)heptyl ester iodide
IUPAC Name:7-indol-1-ylheptyl 1-methylpyridin-1-ium-3-carboxylate iodide
Traditional Name:1-methylpyridin-1-ium-3-carboxylic acid 7-indol-1-ylheptyl ester iodide
Formula: C22H27IN2O2
MolecularWeight: 478.36645
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=CC=CC=C32.[I-]


Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCN2C=CC3=CC=CC=C32.[I-]


InChI

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


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