[(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-phenyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-phenyl-butyl]azanium Openeye Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-phenyl-butyl]ammonium CAS Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-phenylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-phenylbutyl]azanium Traditional Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-phenyl-butyl]ammonium Formula: C16H18ClN2O2+ MolecularWeight: 305.77932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C2=CC(=CC(=C2)Cl)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)[C@@H](C2=CC(=CC(=C2)Cl)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C16H17ClN2O2/c1-2-15(11-6-4-3-5-7-11)16(18)12-8-13(17)10-14(9-12)19(20)21/h3-10,15-16H,2,18H2,1H3/p+1/t15-,16+/m0/s1