(2-chloranyl-5-nitro-phenyl)methyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[2-[(S)-phenylsulfinyl]ethyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[2-[(S)-phenylsulfinyl]ethyl]ammonium Formula: C16H18ClN2O3S+ MolecularWeight: 353.84372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)C1=CC=CC=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CC[S@](=O)C1=CC=CC=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O3S/c1-18(9-10-23(22)15-5-3-2-4-6-15)12-13-11-14(19(20)21)7-8-16(13)17/h2-8,11H,9-10,12H2,1H3/p+1/t23-/m0/s1