N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C20H30N4O2S/c1-15-5-3-6-16(2)19(15)22-18(25)14-23-8-10-24(11-9-23)20(27)21-13-17-7-4-12-26-17/h3,5-6,17H,4,7-14H2,1-2H3,(H,21,27)(H,22,25)/p+1/t17-/m1/s1