5-ethoxy-1,3-bis(piperidin-1-ium-1-ylmethyl)benzimidazole-2-thione

Systemtic Name: 5-ethoxy-1,3-bis(piperidin-1-ium-1-ylmethyl)benzimidazole-2-thione Openeye Name: 5-ethoxy-1,3-bis(piperidin-1-ium-1-ylmethyl)benzimidazole-2-thione CAS Name: 5-ethoxy-1,3-bis(1-piperidin-1-iumylmethyl)-2-benzimidazolethione IUPAC Name: 5-ethoxy-1,3-bis(piperidin-1-ium-1-ylmethyl)benzimidazole-2-thione Traditional Name: 5-ethoxy-1,3-bis(piperidin-1-ium-1-ylmethyl)benzimidazole-2-thione Formula: C21H34N4OS+2 MolecularWeight: 390.58586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)N2C[NH+]3CCCCC3)C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)N2C[NH+]3CCCCC3)C[NH+]4CCCCC4

InChI

InChI=1S/C21H32N4OS/c1-2-26-18-9-10-19-20(15-18)25(17-23-13-7-4-8-14-23)21(27)24(19)16-22-11-5-3-6-12-22/h9-10,15H,2-8,11-14,16-17H2,1H3/p+2