N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC[C@@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H30N4O3/c28-23(25-22-10-11-24-27(22)18-5-1-2-6-18)16-26-12-3-7-19(26)17-8-9-20-21(15-17)30-14-4-13-29-20/h8-11,15,18-19H,1-7,12-14,16H2,(H,25,28)/p+1/t19-/m1/s1