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dihexyl 2-[(1-methylpyridin-1-ium-3-yl)amino]butanedioate

dihexyl 2-[(1-methylpyridin-1-ium-3-yl)amino]butanedioate

Systemtic Name:dihexyl 2-[(1-methylpyridin-1-ium-3-yl)amino]butanedioate
Openeye Name:dihexyl 2-[(1-methylpyridin-1-ium-3-yl)amino]butanedioate
CAS Name:2-[(1-methyl-3-pyridin-1-iumyl)amino]butanedioic acid dihexyl ester
IUPAC Name:dihexyl 2-[(1-methylpyridin-1-ium-3-yl)amino]butanedioate
Traditional Name:2-[(1-methylpyridin-1-ium-3-yl)amino]succinic acid dihexyl ester
Formula: C22H37N2O4+
MolecularWeight: 393.54018
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C(=O)OCCCCCC)NC1=C[N+](=CC=C1)C


Isomeric SMILES

CCCCCCOC(=O)CC(C(=O)OCCCCCC)NC1=C[N+](=CC=C1)C


InChI

InChI=1S/C22H37N2O4/c1-4-6-8-10-15-27-21(25)17-20(22(26)28-16-11-9-7-5-2)23-19-13-12-14-24(3)18-19/h12-14,18,20,23H,4-11,15-17H2,1-3H3/q+1


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