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

Systemtic Name: (3S)-N-[2-[1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(5-acetyl-3-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H]4CCOC4

InChI

InChI=1S/C20H26N4O3S/c1-14(25)18-10-15(13-28-18)11-23-7-3-17(4-8-23)24-19(2-6-21-24)22-20(26)16-5-9-27-12-16/h2,6,10,13,16-17H,3-5,7-9,11-12H2,1H3,(H,22,26)/p+1/t16-/m0/s1