5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropyl)-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropyl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]-1-isobutyl-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-4-[4-(4-chlorophenyl)-2-thiazolyl]-1-(2-methylpropyl)-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropyl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]-1-isobutyl-2-pyrrolin-1-ium-3-one Formula: C17H19ClN3OS+ MolecularWeight: 348.87026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C[NH+]1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3OS/c1-10(2)7-21-8-14(22)15(16(21)19)17-20-13(9-23-17)11-3-5-12(18)6-4-11/h3-6,9-10H,7-8,19H2,1-2H3/p+1