(6R)-6-oxidanyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-oxidanyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-hydroxy-4-[(4-phenylthiazol-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-hydroxy-4-[(4-phenyl-2-thiazolyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-hydroxy-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-hydroxy-4-[(4-phenylthiazol-2-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CC2=NC(=CS2)C3=CC=CC=C3)CC4=CN=CC=C4)O

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CC2=NC(=CS2)C3=CC=CC=C3)CC4=CN=CC=C4)O

InChI

InChI=1S/C21H22N4O2S/c26-18-11-24(13-20-23-19(15-28-20)17-6-2-1-3-7-17)14-21(27)25(12-18)10-16-5-4-8-22-9-16/h1-9,15,18,26H,10-14H2/p+1/t18-/m0/s1