2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate

Systemtic Name: 2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate Openeye Name: 2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate CAS Name: 4-(2-hydroxyethyl)-1-piperazinecarbodithioic acid 2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate Traditional Name: 4-(2-hydroxyethyl)piperazine-1-carbodithioic acid 2-(2-methyl-5-nitro-1H-imidazol-3-ium-3-yl)ethyl ester Formula: C13H22N5O3S2+ MolecularWeight: 360.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1)[N+](=O)[O-])CCSC(=S)N2CCN(CC2)CCO

Isomeric SMILES

CC1=[N+](C=C(N1)[N+](=O)[O-])CCSC(=S)N2CCN(CC2)CCO

InChI

InChI=1S/C13H21N5O3S2/c1-11-14-12(18(20)21)10-17(11)7-9-23-13(22)16-4-2-15(3-5-16)6-8-19/h10,19H,2-9H2,1H3/p+1