6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 6-(1-indolyl)hexyl ester IUPAC Name: 6-indol-1-ylhexyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 6-indol-1-ylhexyl ester Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N2O2/c1-22-13-8-10-19(17-22)21(24)25-16-7-3-2-6-14-23-15-12-18-9-4-5-11-20(18)23/h4-5,8-13,15,17H,2-3,6-7,14,16H2,1H3/q+1