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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-phenoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-phenoxyphenyl)methanone Traditional Name: (2-phenoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C25H24N2O4/c28-25(21-8-4-5-9-22(21)31-20-6-2-1-3-7-20)27-14-12-26(13-15-27)17-19-10-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2/p+1