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

Systemtic Name: (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-(1-neopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C18H31N4O2+ MolecularWeight: 335.46434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCOC3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)[C@H]3CCOC3

InChI

InChI=1S/C18H30N4O2/c1-18(2,3)13-21-9-5-15(6-10-21)22-16(4-8-19-22)20-17(23)14-7-11-24-12-14/h4,8,14-15H,5-7,9-13H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1