4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H31N5O3/c1-16-7-4-5-13-25(16)14-6-12-23-22(28)20-10-8-19(9-11-20)15-26-18(3)21(27(29)30)17(2)24-26/h8-11,16H,4-7,12-15H2,1-3H3,(H,23,28)/p+1/t16-/m0/s1