(3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one Openeye Name: (3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one CAS Name: (3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-3-ethyl-2-piperazin-4-iumone IUPAC Name: (3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-ethylpiperazin-4-ium-2-one Traditional Name: (3R)-4-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-ethyl-piperazin-4-ium-2-one Formula: C19H33N4O3S+ MolecularWeight: 397.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCNC(=O)C3CC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCNC(=O)[C@H]3CC

InChI

InChI=1S/C19H32N4O3S/c1-3-5-10-23-16(13-22-11-9-20-18(24)17(22)4-2)12-21-19(23)27(25,26)14-15-7-6-8-15/h12,15,17H,3-11,13-14H2,1-2H3,(H,20,24)/p+1/t17-/m1/s1