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3,4-dihydro-1H-isochromen-1-ylmethyl-[(4-nitrophenyl)methyl]azanium chloride

3,4-dihydro-1H-isochromen-1-ylmethyl-[(4-nitrophenyl)methyl]azanium chloride

Systemtic Name:3,4-dihydro-1H-isochromen-1-ylmethyl-[(4-nitrophenyl)methyl]azanium chloride
Openeye Name:isochroman-1-ylmethyl-[(4-nitrophenyl)methyl]ammonium chloride
CAS Name:3,4-dihydro-1H-2-benzopyran-1-ylmethyl-[(4-nitrophenyl)methyl]ammonium chloride
IUPAC Name:3,4-dihydro-1H-isochromen-1-ylmethyl-[(4-nitrophenyl)methyl]azanium chloride
Traditional Name:isochroman-1-ylmethyl-(4-nitrobenzyl)ammonium chloride
Formula: C17H19ClN2O3
MolecularWeight: 334.79736
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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]


Isomeric SMILES

C1COC(C2=CC=CC=C21)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]


InChI

InChI=1S/C17H18N2O3.ClH/c20-19(21)15-7-5-13(6-8-15)11-18-12-17-16-4-2-1-3-14(16)9-10-22-17;/h1-8,17-18H,9-12H2;1H


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