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

Systemtic Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-cyclopentyl-4,5-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C20H31N5S+2 MolecularWeight: 373.55864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCC4)C

InChI

InChI=1S/C20H29N5S/c1-16-17(2)25(18-7-3-4-8-18)20(26)24(16)15-22-11-13-23(14-12-22)19-9-5-6-10-21-19/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3/p+2