5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-morpholinoethyl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[2-(4-morpholinyl)ethyl]-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-morpholinoethyl)-2-pyrrolin-1-ium-3-one Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[NH+]2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1CC[NH+]2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H20N4O2S/c18-16-15(17-19-12-3-1-2-4-14(12)24-17)13(22)11-21(16)6-5-20-7-9-23-10-8-20/h1-4H,5-11,18H2/p+1