3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromene-2,7-quinone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C23H22N2O3S/c1-14-8-10-25(11-9-14)13-17-19(26)7-6-15-12-16(23(27)28-21(15)17)22-24-18-4-2-3-5-20(18)29-22/h2-7,12,14,24H,8-11,13H2,1H3/p+1