2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethanone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4/c1-16-12-22(24-19-5-3-2-4-18(16)19)25-8-10-26(11-9-25)23(27)14-28-17-6-7-20-21(13-17)30-15-29-20/h2-7,12-13H,8-11,14-15H2,1H3/p+1