N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]cycloheptanecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]cycloheptanecarboxamide Formula: C21H37N4O+ MolecularWeight: 361.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC(=NN2C)C)C(=O)C3CCCCCC3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC(=NN2C)C)C(=O)C3CCCCCC3

InChI

InChI=1S/C21H36N4O/c1-4-24-13-9-12-19(24)15-25(16-20-14-17(2)22-23(20)3)21(26)18-10-7-5-6-8-11-18/h14,18-19H,4-13,15-16H2,1-3H3/p+1/t19-/m1/s1