3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-1-ium-4-ylidene]methylamino]-1,1-dimethyl-thiourea

Systemtic Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-1-ium-4-ylidene]methylamino]-1,1-dimethyl-thiourea Openeye Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-1-ium-4-ylidene]methylamino]-1,1-dimethyl-thiourea CAS Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridin-1-iumylidene]methylamino]-1,1-dimethylthiourea IUPAC Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-1-ium-4-ylidene]methylamino]-1,1-dimethylthiourea Traditional Name: 3-[(3-keto-2-methyl-5-methylol-pyridin-1-ium-4-ylidene)methylamino]-1,1-dimethyl-thiourea Formula: C11H17N4O2S+ MolecularWeight: 269.34328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=CNNC(=S)N(C)C)C1=O)CO

Isomeric SMILES

CC1=[NH+]C=C(C(=CNNC(=S)N(C)C)C1=O)CO

InChI

InChI=1S/C11H16N4O2S/c1-7-10(17)9(8(6-16)4-12-7)5-13-14-11(18)15(2)3/h4-5,13,16H,6H2,1-3H3,(H,14,18)/p+1