7-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]quinolin-1-ium Formula: C21H21ClN3O4S+ MolecularWeight: 446.92714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H20ClN3O4S/c22-15-1-3-17-18(13-15)23-6-5-19(17)24-7-9-25(10-8-24)30(26,27)16-2-4-20-21(14-16)29-12-11-28-20/h1-6,13-14H,7-12H2/p+1