N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H30N5O4+ MolecularWeight: 440.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N5O4/c29-22(26-21-7-10-24-28(21)18-3-1-2-4-18)14-27-11-8-16(9-12-27)23(30)25-17-5-6-19-20(13-17)32-15-31-19/h5-7,10,13,16,18H,1-4,8-9,11-12,14-15H2,(H,25,30)(H,26,29)/p+1