2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-morpholin-4-ium-4-ylethyl)-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-morpholin-4-ium-4-ylethyl)-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4-methyl-5-(2-morpholin-4-ium-4-ylethyl)pyrazolo[4,3-c]pyridin-6-olate Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC[NH+]5CCOCC5)[O-]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13-18-15(12-17(26)24(13)7-6-23-8-10-28-11-9-23)22-25(19(18)27)20-21-14-4-2-3-5-16(14)29-20/h2-5,12,26H,6-11H2,1H3