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

Systemtic Name: dimethyl-[(2R)-4-methyl-1-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]pentan-2-yl]azanium Openeye Name: dimethyl-[(1R)-3-methyl-1-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)methyl]butyl]ammonium CAS Name: dimethyl-[(2R)-4-methyl-1-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]pentan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-4-methyl-1-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)pentan-2-yl]azanium Traditional Name: dimethyl-[(1R)-3-methyl-1-[(4-nitro-2-pyrrolidinosulfonyl-anilino)methyl]butyl]ammonium Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2)[NH+](C)C

Isomeric SMILES

CC(C)C[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2)[NH+](C)C

InChI

InChI=1S/C18H30N4O4S/c1-14(2)11-16(20(3)4)13-19-17-8-7-15(22(23)24)12-18(17)27(25,26)21-9-5-6-10-21/h7-8,12,14,16,19H,5-6,9-11,13H2,1-4H3/p+1/t16-/m1/s1