[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-[3-(phenoxymethyl)-2-furyl]methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-[3-(phenoxymethyl)-2-furanyl]methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-[3-(phenoxymethyl)-2-furyl]methanone Formula: C25H23ClN3O3+ MolecularWeight: 448.92142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=C(C=CO4)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=C(C=CO4)COC5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3O3/c26-19-6-7-21-22(16-19)27-10-8-23(21)28-11-13-29(14-12-28)25(30)24-18(9-15-31-24)17-32-20-4-2-1-3-5-20/h1-10,15-16H,11-14,17H2/p+1