1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C23H35N5O+2 MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)C

InChI

InChI=1S/C23H33N5O/c1-17-6-7-19(14-18(17)2)21-20(15-25-26-21)16-27-12-8-23(9-13-27,22(24)29)28-10-4-3-5-11-28/h6-7,14-15H,3-5,8-13,16H2,1-2H3,(H2,24,29)(H,25,26)/p+2