dimethyl-[2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)ethyl]ammonium CAS Name: dimethyl-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: dimethyl-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: dimethyl-[2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl]ammonium Formula: C14H23N4O4S+ MolecularWeight: 343.42182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4S/c1-16(2)10-7-15-13-6-5-12(11-14(13)18(19)20)23(21,22)17-8-3-4-9-17/h5-6,11,15H,3-4,7-10H2,1-2H3/p+1