(3-nitrophenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (3-nitrophenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (3-nitrophenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (3-nitrophenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (3-nitrophenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (3-nitrobenzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C15H17N2O3+ MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)OC=C2)[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](C2=C(C1)OC=C2)[NH2+]CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O3/c18-17(19)12-4-1-3-11(9-12)10-16-14-5-2-6-15-13(14)7-8-20-15/h1,3-4,7-9,14,16H,2,5-6,10H2/p+1/t14-/m0/s1