2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium Openeye Name: 2-(3-amino-3-oxo-propyl)sulfonylethyl-[(2-chloro-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-[(2-chloro-5-nitrophenyl)methyl]-methylammonium IUPAC Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-[(2-chloro-5-nitrophenyl)methyl]-methylazanium Traditional Name: 2-(3-amino-3-keto-propyl)sulfonylethyl-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C13H19ClN3O5S+ MolecularWeight: 364.82506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O5S/c1-16(5-7-23(21,22)6-4-13(15)18)9-10-8-11(17(19)20)2-3-12(10)14/h2-3,8H,4-7,9H2,1H3,(H2,15,18)/p+1