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

Systemtic Name: (4-methoxyphenyl)-[1-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methoxyphenyl)-[1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methoxyphenyl)-[1-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methoxyphenyl)-[1-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O2S/c1-23-19-5-3-4-6-20(19)25(22(23)28)15-24-13-11-17(12-14-24)21(26)16-7-9-18(27-2)10-8-16/h3-10,17H,11-15H2,1-2H3/p+1