(2S,3Z)-3-[1-(butylamino)ethylidene]-1-(2-methoxyethyl)-5-oxidanyl-2-phenyl-2H-pyrrol-1-ium-4-one

Systemtic Name: (2S,3Z)-3-[1-(butylamino)ethylidene]-1-(2-methoxyethyl)-5-oxidanyl-2-phenyl-2H-pyrrol-1-ium-4-one Openeye Name: (2S,3Z)-3-[1-(butylamino)ethylidene]-5-hydroxy-1-(2-methoxyethyl)-2-phenyl-2H-pyrrol-1-ium-4-one CAS Name: (2S,3Z)-3-[1-(butylamino)ethylidene]-5-hydroxy-1-(2-methoxyethyl)-2-phenyl-2H-pyrrol-1-ium-4-one IUPAC Name: (2S,3Z)-3-[1-(butylamino)ethylidene]-5-hydroxy-1-(2-methoxyethyl)-2-phenyl-2H-pyrrol-1-ium-4-one Traditional Name: (4Z,5S)-4-[1-(butylamino)ethylidene]-2-hydroxy-1-(2-methoxyethyl)-5-phenyl-1-pyrrolin-1-ium-3-one Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=C1C([N+](=C(C1=O)O)CCOC)C2=CC=CC=C2)C

Isomeric SMILES

CCCCN/C(=C\1/[C@@H]([N+](=C(C1=O)O)CCOC)C2=CC=CC=C2)/C

InChI

InChI=1S/C19H26N2O3/c1-4-5-11-20-14(2)16-17(15-9-7-6-8-10-15)21(12-13-24-3)19(23)18(16)22/h6-10,17H,4-5,11-13H2,1-3H3,(H,20,22)/p+1/t17-/m0/s1