[(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone Openeye Name: [(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-yl]-morpholino-methanone CAS Name: [(2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(cyclohexylmethyl)-2-pyrrolidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(2S,4R)-4-(1H-benzimidazol-2-ylsulfanyl)-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-yl]-morpholin-4-ylmethanone Traditional Name: [(2S,4R)-4-(1H-benzimidazol-2-ylthio)-1-(cyclohexylmethyl)pyrrolidin-1-ium-2-yl]-morpholino-methanone Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CC(CC2C(=O)N3CCOCC3)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2C[C@@H](C[C@H]2C(=O)N3CCOCC3)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H32N4O2S/c28-22(26-10-12-29-13-11-26)21-14-18(16-27(21)15-17-6-2-1-3-7-17)30-23-24-19-8-4-5-9-20(19)25-23/h4-5,8-9,17-18,21H,1-3,6-7,10-16H2,(H,24,25)/p+1/t18-,21+/m1/s1