(2S,4S)-1-(cyclohexylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-(cyclohexylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-propan-2-yl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-1-(cyclohexylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-isopropyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-(cyclohexylmethyl)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-propan-2-yl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-(cyclohexylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-propan-2-ylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-1-(cyclohexylmethyl)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-N-isopropyl-pyrrolidin-1-ium-2-carboxamide Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2CC([NH+](C2)CC3CCCCC3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@H]2C[C@H]([NH+](C2)CC3CCCCC3)C(=O)NC(C)C)C

InChI

InChI=1S/C21H34N4OS/c1-14(2)22-20(26)19-11-18(27-21-23-15(3)10-16(4)24-21)13-25(19)12-17-8-6-5-7-9-17/h10,14,17-19H,5-9,11-13H2,1-4H3,(H,22,26)/p+1/t18-,19-/m0/s1