1-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione

Systemtic Name: 1-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione Openeye Name: 1-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione CAS Name: 1-phenyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione IUPAC Name: 1-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione Traditional Name: 1-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole-2-thione Formula: C23H29N5S+2 MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H27N5S/c29-23-27(18-25-14-16-26(17-15-25)22-12-6-7-13-24-22)20-10-4-5-11-21(20)28(23)19-8-2-1-3-9-19/h1-3,6-9,12-13H,4-5,10-11,14-18H2/p+2