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

Systemtic Name: 1-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C15H20N4S/c1-16-7-10-19(15(16)20)13-17-8-11-18(12-9-17)14-5-3-2-4-6-14/h2-7,10H,8-9,11-13H2,1H3/p+1