2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-(1-piperidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-14-19(24(26)27)15(2)23(21-14)13-18(25)20-17-8-6-16(7-9-17)12-22-10-4-3-5-11-22/h6-9H,3-5,10-13H2,1-2H3,(H,20,25)/p+1