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

Systemtic Name: 5-azanyl-4-(1,3-benzothiazol-2-yl)-1-methyl-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-methyl-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-methyl-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-methyl-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-4-(1,3-benzothiazol-2-yl)-1-methyl-2-pyrrolin-1-ium-3-one Formula: C12H12N3OS+ MolecularWeight: 246.30818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H11N3OS/c1-15-6-8(16)10(11(15)13)12-14-7-4-2-3-5-9(7)17-12/h2-5H,6,13H2,1H3/p+1