1,3-benzodioxol-5-yl-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]methanone Formula: C21H19ClN3O3+ MolecularWeight: 396.84686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18ClN3O3/c22-15-2-3-16-17(12-15)23-6-5-18(16)24-7-9-25(10-8-24)21(26)14-1-4-19-20(11-14)28-13-27-19/h1-6,11-12H,7-10,13H2/p+1