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

Systemtic Name: [(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]-[(2S)-4-phenylbutan-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(1S)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(2S)-4-phenylbutan-2-yl]-prop-2-enylammonium IUPAC Name: [(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(2S)-4-phenylbutan-2-yl]-prop-2-enylazanium Traditional Name: allyl-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-[(1S)-1-methyl-3-phenyl-propyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-14-22(17(2)12-13-18-8-5-4-6-9-18)16-21(24)19-10-7-11-20(15-19)23(25)26/h3-11,15,17,21,24H,1,12-14,16H2,2H3/p+1/t17-,21+/m0/s1