3-nitro-N-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]-3-nitro-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c26-20(14-23-21(27)16-8-5-9-19(12-16)25(28)29)22-13-17-6-1-2-7-18(17)15-24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13-15H2,(H,22,26)(H,23,27)/p+1