(3S)-N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H]4CCOC4

InChI

InChI=1S/C20H28N4O3/c1-2-17-3-4-18(27-17)13-23-10-6-16(7-11-23)24-19(5-9-21-24)22-20(25)15-8-12-26-14-15/h3-5,9,15-16H,2,6-8,10-14H2,1H3,(H,22,25)/p+1/t15-/m0/s1