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

Systemtic Name: (3S)-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C17H29N4O2S+ MolecularWeight: 353.50276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S/c1-24-12-2-8-20-9-4-15(5-10-20)21-16(3-7-18-21)19-17(22)14-6-11-23-13-14/h3,7,14-15H,2,4-6,8-13H2,1H3,(H,19,22)/p+1/t14-/m0/s1