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8-indol-1-yloctyl 1-methylpyridin-1-ium-4-carboxylate

8-indol-1-yloctyl 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name:8-indol-1-yloctyl 1-methylpyridin-1-ium-4-carboxylate
Openeye Name:8-indol-1-yloctyl 1-methylpyridin-1-ium-4-carboxylate
CAS Name:1-methyl-4-pyridin-1-iumcarboxylic acid 8-(1-indolyl)octyl ester
IUPAC Name:8-indol-1-yloctyl 1-methylpyridin-1-ium-4-carboxylate
Traditional Name:1-methylpyridin-1-ium-4-carboxylic acid 8-indol-1-yloctyl ester
Formula: C23H29N2O2+
MolecularWeight: 365.48856
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCN2C=CC3=CC=CC=C32


Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCN2C=CC3=CC=CC=C32


InChI

InChI=1S/C23H29N2O2/c1-24-16-12-21(13-17-24)23(26)27-19-9-5-3-2-4-8-15-25-18-14-20-10-6-7-11-22(20)25/h6-7,10-14,16-18H,2-5,8-9,15,19H2,1H3/q+1


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