4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]sulfonyl-3,5-dimethyl-isoxazole Formula: C18H20ClN4O3S+ MolecularWeight: 407.8944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C18H19ClN4O3S/c1-12-18(13(2)26-21-12)27(24,25)23-9-7-22(8-10-23)17-5-6-20-16-11-14(19)3-4-15(16)17/h3-6,11H,7-10H2,1-2H3/p+1