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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: (2-phenyl-4-quinolyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C28H26N3O3+ MolecularWeight: 452.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H25N3O3/c32-28(23-17-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24)31-14-12-30(13-15-31)18-20-10-11-26-27(16-20)34-19-33-26/h1-11,16-17H,12-15,18-19H2/p+1