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

Systemtic Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C21H32N6O/c1-3-26-15-18(16(2)24-26)14-25-12-9-19(10-13-25)27-20(8-11-22-27)23-21(28)17-6-4-5-7-17/h8,11,15,17,19H,3-7,9-10,12-14H2,1-2H3,(H,23,28)/p+1