N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide

Systemtic Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Openeye Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide CAS Name: N-[(2-phenyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Traditional Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=CC=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H32N4O/c28-23(20-9-3-1-4-10-20)26(18-17-25-15-7-8-16-25)19-22-13-14-24-27(22)21-11-5-2-6-12-21/h2,5-6,11-14,20H,1,3-4,7-10,15-19H2/p+1