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8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name:8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate
Openeye Name:8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate
CAS Name:1-methyl-3-pyridin-1-iumcarboxylic acid 8-(5-nitro-1-indolyl)octyl ester
IUPAC Name:8-(5-nitroindol-1-yl)octyl 1-methylpyridin-1-ium-3-carboxylate
Traditional Name:1-methylpyridin-1-ium-3-carboxylic acid 8-(5-nitroindol-1-yl)octyl ester
Formula: C23H28N3O4+
MolecularWeight: 410.48612
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C23H28N3O4/c1-24-13-8-9-20(18-24)23(27)30-16-7-5-3-2-4-6-14-25-15-12-19-17-21(26(28)29)10-11-22(19)25/h8-13,15,17-18H,2-7,14,16H2,1H3/q+1


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