N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-20-8-9-22(18(20)26)11-21-6-4-13(5-7-21)17(23)19-14-2-3-15-16(10-14)25-12-24-15/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,19,23)/p+1