2-chloranyl-N-[2-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H28ClN6O+ MolecularWeight: 427.95032

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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=C4Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H27ClN6O/c1-3-28-16(2)17(14-25-28)15-27-12-9-18(10-13-27)29-21(8-11-24-29)26-22(30)19-6-4-5-7-20(19)23/h4-8,11,14,18H,3,9-10,12-13,15H2,1-2H3,(H,26,30)/p+1