(3S)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-(8-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-(8-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H27N5O2/c29-23(19-9-14-30-16-19)26-21-6-11-25-28(21)20-7-12-27(13-8-20)15-18-4-1-3-17-5-2-10-24-22(17)18/h1-6,10-11,19-20H,7-9,12-16H2,(H,26,29)/p+1/t19-/m0/s1