1-adamantyl-methyl-[2-(2-nitrophenyl)carbonyloxyethyl]azanium chloride

Systemtic Name: 1-adamantyl-methyl-[2-(2-nitrophenyl)carbonyloxyethyl]azanium chloride Openeye Name: 1-adamantyl-methyl-[2-(2-nitrobenzoyl)oxyethyl]ammonium chloride CAS Name: 1-adamantyl-methyl-[2-[(2-nitrophenyl)-oxomethoxy]ethyl]ammonium chloride IUPAC Name: 1-adamantyl-methyl-[2-(2-nitrobenzoyl)oxyethyl]azanium chloride Traditional Name: 1-adamantyl-methyl-[2-(2-nitrobenzoyl)oxyethyl]ammonium chloride Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC(=O)C1=CC=CC=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

C[NH+](CCOC(=O)C1=CC=CC=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

InChI=1S/C20H26N2O4.ClH/c1-21(20-11-14-8-15(12-20)10-16(9-14)13-20)6-7-26-19(23)17-4-2-3-5-18(17)22(24)25;/h2-5,14-16H,6-13H2,1H3;1H