5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-4-(1,3-benzothiazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Openeye Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one CAS Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-3-one Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolin-3-one Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCCN2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H22N4O2S/c19-17-16(18-20-13-4-1-2-5-15(13)25-18)14(23)12-22(17)7-3-6-21-8-10-24-11-9-21/h1-2,4-5H,3,6-12,19H2/p+1