methyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methylazanium Traditional Name: benzyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-methyl-ammonium Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H](C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O3/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(10-14)18(20)21/h2-10,16,19H,11-12H2,1H3/p+1/t16-/m1/s1