[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(o-tolyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(2-methylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone Traditional Name: [2-(o-tolyl)-4-quinolyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C29H28N3O3+ MolecularWeight: 466.55092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O3/c1-20-6-2-3-7-22(20)26-17-24(23-8-4-5-9-25(23)30-26)29(33)32-14-12-31(13-15-32)18-21-10-11-27-28(16-21)35-19-34-27/h2-11,16-17H,12-15,18-19H2,1H3/p+1