1,3-bis[(4-phenylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1,3-bis[(4-phenylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1,3-bis[(4-phenylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1,3-bis[(4-phenyl-1-piperidin-1-iumyl)methyl]-2-benzimidazolethione IUPAC Name: 1,3-bis[(4-phenylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1,3-bis[(4-phenylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C31H38N4S+2 MolecularWeight: 498.72522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)C[NH+]5CCC(CC5)C6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)C[NH+]5CCC(CC5)C6=CC=CC=C6

InChI

InChI=1S/C31H36N4S/c36-31-34(23-32-19-15-27(16-20-32)25-9-3-1-4-10-25)29-13-7-8-14-30(29)35(31)24-33-21-17-28(18-22-33)26-11-5-2-6-12-26/h1-14,27-28H,15-24H2/p+2