5-chloranyl-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 5-chloro-2-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[4-(2-methylquinolin-1-ium-4-yl)piperazino]-1,3-benzothiazole Formula: C21H20ClN4S+ MolecularWeight: 395.9283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C21H19ClN4S/c1-14-12-19(16-4-2-3-5-17(16)23-14)25-8-10-26(11-9-25)21-24-18-13-15(22)6-7-20(18)27-21/h2-7,12-13H,8-11H2,1H3/p+1