2-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 2-nitro-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-nitro-benzamide CAS Name: 2-nitro-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-nitrobenzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-nitro-benzamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c22-18(16-8-4-5-9-17(16)21(23)24)19-15-10-11-20(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,19,22)/p+1/t15-/m1/s1