(3S)-N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3CCOC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1COC[C@H]1C(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C22H28N4O2/c27-22(18-8-12-28-15-18)24-21-5-9-23-26(21)19-6-10-25(11-7-19)20-13-16-3-1-2-4-17(16)14-20/h1-5,9,18-20H,6-8,10-15H2,(H,24,27)/p+1/t18-/m0/s1