N-[1-[(2,4-dimethyl-6-sulfanylidene-pyrimidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2,4-dimethyl-6-sulfanylidene-pyrimidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2,4-dimethyl-6-thioxo-pyrimidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2,4-dimethyl-6-sulfanylidene-1-pyrimidinyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2,4-dimethyl-6-sulfanylidenepyrimidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(2,4-dimethyl-6-thioxo-pyrimidin-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N(C(=N1)C)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=S)N(C(=N1)C)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS/c1-14-12-18(25)23(15(2)20-14)13-22-10-8-17(9-11-22)21-19(24)16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,21,24)/p+1