1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(1-ethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-N-[[(2S)-2-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H39N5O2+2 MolecularWeight: 405.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCC4CCCO4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC[C@@H]4CCCO4

InChI

InChI=1S/C22H37N5O2/c1-2-27-17-18(14-24-27)16-25-9-7-20(8-10-25)26-11-5-19(6-12-26)22(28)23-15-21-4-3-13-29-21/h14,17,19-21H,2-13,15-16H2,1H3,(H,23,28)/p+2/t21-/m0/s1