(2S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl]-1,4-diazepan-5-one

Systemtic Name: (2S)-2-methyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl]-1,4-diazepan-5-one Openeye Name: (2S)-2-methyl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carbonyl]-1,4-diazepan-5-one CAS Name: (2S)-2-methyl-1-[oxo-[2-(1-pyrrolidin-1-iumylmethyl)-5-thiazolyl]methyl]-1,4-diazepan-5-one IUPAC Name: (2S)-2-methyl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-5-carbonyl]-1,4-diazepan-5-one Traditional Name: (2S)-2-methyl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-5-carbonyl]-1,4-diazepan-5-one Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)CCN1C(=O)C2=CN=C(S2)C[NH+]3CCCC3

Isomeric SMILES

C[C@H]1CNC(=O)CCN1C(=O)C2=CN=C(S2)C[NH+]3CCCC3

InChI

InChI=1S/C15H22N4O2S/c1-11-8-16-13(20)4-7-19(11)15(21)12-9-17-14(22-12)10-18-5-2-3-6-18/h9,11H,2-8,10H2,1H3,(H,16,20)/p+1/t11-/m0/s1