3-[(5-methylpyridin-1-ium-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide

Systemtic Name: 3-[(5-methylpyridin-1-ium-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide Openeye Name: 3-[(5-methylpyridin-1-ium-2-yl)-(3-pyridylmethyl)amino]propanethioamide CAS Name: 3-[(5-methyl-2-pyridin-1-iumyl)-(3-pyridinylmethyl)amino]propanethioamide IUPAC Name: 3-[(5-methylpyridin-1-ium-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide Traditional Name: 3-[(5-methylpyridin-1-ium-2-yl)-(3-pyridylmethyl)amino]thiopropionamide Formula: C15H19N4S+ MolecularWeight: 287.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N(CCC(=S)N)CC2=CN=CC=C2

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N(CCC(=S)N)CC2=CN=CC=C2

InChI

InChI=1S/C15H18N4S/c1-12-4-5-15(18-9-12)19(8-6-14(16)20)11-13-3-2-7-17-10-13/h2-5,7,9-10H,6,8,11H2,1H3,(H2,16,20)/p+1