methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(3-phenyl-2-sulfanylidene-1-benzimidazolyl)methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenyl-2-sulfanylidenebenzimidazol-1-yl)methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C21H28N4S+2 MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4S/c1-22-14-12-17(13-15-22)23(2)16-24-19-10-6-7-11-20(19)25(21(24)26)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3/p+2