3-ethyl-4-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 3-ethyl-4-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 3-ethyl-4-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 3-ethyl-4-phenyl-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 3-ethyl-4-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 3-ethyl-4-phenyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C21H27N5S+2 MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5S/c1-2-26-20(18-6-4-3-5-7-18)16-25(21(26)27)17-23-12-14-24(15-13-23)19-8-10-22-11-9-19/h3-11,16H,2,12-15,17H2,1H3/p+2