N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: N-[2-[(3-methyl-2-quinolin-1-iumyl)amino]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]benzofurazan-4-sulfonamide Formula: C18H18N5O3S+ MolecularWeight: 384.43222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[NH+]=C1NCCNS(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC1=CC2=CC=CC=C2[NH+]=C1NCCNS(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C18H17N5O3S/c1-12-11-13-5-2-3-6-14(13)21-18(12)19-9-10-20-27(24,25)16-8-4-7-15-17(16)23-26-22-15/h2-8,11,20H,9-10H2,1H3,(H,19,21)/p+1