(5E)-2-azanyl-3-ethanoyl-5-[(6-methoxy-2-piperidin-1-yl-quinolin-3-yl)methylidene]-1,3-thiazol-3-ium-4-one

Systemtic Name: (5E)-2-azanyl-3-ethanoyl-5-[(6-methoxy-2-piperidin-1-yl-quinolin-3-yl)methylidene]-1,3-thiazol-3-ium-4-one Openeye Name: (5E)-3-acetyl-2-amino-5-[[6-methoxy-2-(1-piperidyl)-3-quinolyl]methylene]thiazol-3-ium-4-one CAS Name: (5E)-3-acetyl-2-amino-5-[[6-methoxy-2-(1-piperidinyl)-3-quinolinyl]methylidene]-4-thiazol-3-iumone IUPAC Name: (5E)-3-acetyl-2-amino-5-[(6-methoxy-2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-3-acetyl-2-amino-5-[(6-methoxy-2-piperidino-3-quinolyl)methylene]-2-thiazolin-3-ium-4-one Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1=C(SC(=CC2=C(N=C3C=CC(=CC3=C2)OC)N4CCCCC4)C1=O)N

Isomeric SMILES

CC(=O)[N+]1=C(S/C(=C/C2=C(N=C3C=CC(=CC3=C2)OC)N4CCCCC4)/C1=O)N

InChI

InChI=1S/C21H22N4O3S/c1-13(26)25-20(27)18(29-21(25)22)12-15-10-14-11-16(28-2)6-7-17(14)23-19(15)24-8-4-3-5-9-24/h6-7,10-12,22H,3-5,8-9H2,1-2H3/p+1/b18-12+