1-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C15H20N4OS/c1-17-12-4-2-3-5-13(12)19(15(17)21)10-18-8-6-11(7-9-18)14(16)20/h2-5,11H,6-10H2,1H3,(H2,16,20)/p+1