N-[2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C20H30ClN6O+ MolecularWeight: 405.9448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)Cl)C

InChI

InChI=1S/C20H29ClN6O/c1-14-17(19(21)25(2)24-14)13-26-11-8-16(9-12-26)27-18(7-10-22-27)23-20(28)15-5-3-4-6-15/h7,10,15-16H,3-6,8-9,11-13H2,1-2H3,(H,23,28)/p+1