1-decyl-N-[6-[(1-decylpyridin-1-ium-4-yl)carbonylamino]hexyl]pyridin-1-ium-4-carboxamide diethanoate

Systemtic Name: 1-decyl-N-[6-[(1-decylpyridin-1-ium-4-yl)carbonylamino]hexyl]pyridin-1-ium-4-carboxamide diethanoate Openeye Name: 1-decyl-N-[6-[(1-decylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide diacetate CAS Name: 1-decyl-N-[6-[[(1-decyl-4-pyridin-1-iumyl)-oxomethyl]amino]hexyl]-4-pyridin-1-iumcarboxamide diacetate IUPAC Name: 1-decyl-N-[6-[(1-decylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide diacetate Traditional Name: 1-decyl-N-[6-[(1-decylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide diacetate Formula: C42H70N4O6 MolecularWeight: 727.0284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)NCCCCCCNC(=O)C2=CC=[N+](C=C2)CCCCCCCCCC.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)NCCCCCCNC(=O)C2=CC=[N+](C=C2)CCCCCCCCCC.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C38H62N4O2.2C2H4O2/c1-3-5-7-9-11-13-17-21-29-41-31-23-35(24-32-41)37(43)39-27-19-15-16-20-28-40-38(44)36-25-33-42(34-26-36)30-22-18-14-12-10-8-6-4-2;2*1-2(3)4/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H3,(H,3,4)