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2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate chloride

2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate chloride

Systemtic Name:2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate chloride
Openeye Name:2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate chloride
CAS Name:3,5-dinitrobenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride
IUPAC Name:2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate chloride
Traditional Name:3,5-dinitrobenzoic acid 2-piperidin-1-ium-1-ylethyl ester chloride
Formula: C14H18ClN3O6
MolecularWeight: 359.76222
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]


Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]


InChI

InChI=1S/C14H17N3O6.ClH/c18-14(23-7-6-15-4-2-1-3-5-15)11-8-12(16(19)20)10-13(9-11)17(21)22;/h8-10H,1-7H2;1H


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