4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2R)-2-pyrrolidin-1-ium-1-ylpropyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2R)-2-pyrrolidin-1-ium-1-ylpropyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2R)-2-pyrrolidin-1-ium-1-ylpropyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2R)-2-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2R)-2-pyrrolidin-1-ium-1-ylpropyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2R)-2-pyrrolidin-1-ium-1-ylpropyl]benzamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(C)[NH+]3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC[C@@H](C)[NH+]3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-14(23-10-4-5-11-23)12-21-20(26)18-8-6-17(7-9-18)13-24-16(3)19(25(27)28)15(2)22-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,26)/p+1/t14-/m1/s1