[(1R)-1-(2-methoxyphenyl)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(2-methoxyphenyl)-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-methoxyphenyl)-2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-methoxyphenyl)-2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(2-methoxyphenyl)-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-methoxyphenyl)-2-[(3-nitro-4-pyrrolidino-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O4/c1-24(2)20(17-8-4-5-9-21(17)30-3)15-23-22(27)16-10-11-18(19(14-16)26(28)29)25-12-6-7-13-25/h4-5,8-11,14,20H,6-7,12-13,15H2,1-3H3,(H,23,27)/p+1/t20-/m0/s1