[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC(C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]C[C@H](C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H22N2O3/c1-14(10-11-15-6-3-2-4-7-15)19-13-18(21)16-8-5-9-17(12-16)20(22)23/h2-9,12,14,18-19,21H,10-11,13H2,1H3/p+1/t14-,18-/m1/s1