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

Systemtic Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(2,4,5-trimethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-17-14-19(3)21(15-18(17)2)16-27-12-9-22(10-13-27)28-23(8-11-25-28)26-24(29)20-6-4-5-7-20/h8,11,14-15,20,22H,4-7,9-10,12-13,16H2,1-3H3,(H,26,29)/p+1