N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[(1-ethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C22H28N6O/c1-3-27-16-18(14-24-27)15-26-12-9-19(10-13-26)28-21(8-11-23-28)25-22(29)20-7-5-4-6-17(20)2/h4-8,11,14,16,19H,3,9-10,12-13,15H2,1-2H3,(H,25,29)/p+1