2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carbothioamide

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carbothioamide Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carbothioamide CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-3-pyridinecarbothioamide IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carbothioamide Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]thionicotinamide Formula: C15H25N4S+ MolecularWeight: 293.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C(C=CC=N2)C(=S)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C(C=CC=N2)C(=S)N

InChI

InChI=1S/C15H24N4S/c1-12-6-2-3-10-19(12)11-5-9-18-15-13(14(16)20)7-4-8-17-15/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H2,16,20)(H,17,18)/p+1/t12-/m0/s1