1-cyclopentyl-4,5-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C19H29N6S+ MolecularWeight: 373.53876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3)C4CCCC4)C

InChI

InChI=1S/C19H28N6S/c1-15-16(2)25(17-6-3-4-7-17)19(26)24(15)14-22-10-12-23(13-11-22)18-20-8-5-9-21-18/h5,8-9,17H,3-4,6-7,10-14H2,1-2H3/p+1