4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-isopropylpiperidin-1-ium-4-yl)benzamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O3/c1-14(2)24-11-9-19(10-12-24)22-21(27)18-7-5-17(6-8-18)13-25-16(4)20(26(28)29)15(3)23-25/h5-8,14,19H,9-13H2,1-4H3,(H,22,27)/p+1