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

Systemtic Name: 5-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]sulfonyl-1,3-dimethyl-benzimidazol-2-one Formula: C22H23ClN5O3S+ MolecularWeight: 472.96772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)N(C1=O)C

InChI

InChI=1S/C22H22ClN5O3S/c1-25-20-6-4-16(14-21(20)26(2)22(25)29)32(30,31)28-11-9-27(10-12-28)19-7-8-24-18-13-15(23)3-5-17(18)19/h3-8,13-14H,9-12H2,1-2H3/p+1