5-azanyl-1-phenethyl-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-1-phenethyl-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-1-phenethyl-4-(4-phenylthiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-1-phenethyl-4-(4-phenyl-2-thiazolyl)-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-1-phenethyl-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-1-phenethyl-4-(4-phenylthiazol-2-yl)-2-pyrrolin-1-ium-3-one Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C([NH+]1CCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C([NH+]1CCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c22-20-19(21-23-17(14-26-21)16-9-5-2-6-10-16)18(25)13-24(20)12-11-15-7-3-1-4-8-15/h1-10,14H,11-13,22H2/p+1