N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C19H24N5O5+ MolecularWeight: 402.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5/c1-12-18(24(26)27)13(2)23(21-12)10-22-7-5-14(6-8-22)19(25)20-15-3-4-16-17(9-15)29-11-28-16/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,20,25)/p+1