[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC=CC=C4SC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25N3OS/c1-24-19-11-5-4-10-18(19)23-21(24)15-25-13-7-8-16(14-25)22(26)17-9-3-6-12-20(17)27-2/h3-6,9-12,16H,7-8,13-15H2,1-2H3/p+1/t16-/m0/s1