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

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-[(3-nitro-4-piperidino-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H30N4O4/c1-25(2)22(17-8-7-9-19(14-17)31-3)16-24-23(28)18-10-11-20(21(15-18)27(29)30)26-12-5-4-6-13-26/h7-11,14-15,22H,4-6,12-13,16H2,1-3H3,(H,24,28)/p+1/t22-/m1/s1