1-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-ethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-benzimidazolethione IUPAC Name: 1-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-ethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4S/c1-2-23-18-10-6-7-11-19(18)24(20(23)25)16-21-12-14-22(15-13-21)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1