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

Systemtic Name: dimethyl-[[4-[[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[(2-nitro-4-pyrrolidinosulfonyl-anilino)methyl]benzyl]ammonium Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-22(2)15-17-7-5-16(6-8-17)14-21-19-10-9-18(13-20(19)24(25)26)29(27,28)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3/p+1