7-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenyl-chromen-4-one

Systemtic Name: 7-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenyl-chromen-4-one Openeye Name: 7-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenyl-chromen-4-one CAS Name: 7-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]ethoxy]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenylchromen-4-one Traditional Name: 3-phenyl-7-[2-(4-piperonylpiperazin-4-ium-1-yl)ethoxy]chromone Formula: C29H29N2O5+ MolecularWeight: 485.55096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCOC4=CC5=C(C=C4)C(=O)C(=CO5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CCOC4=CC5=C(C=C4)C(=O)C(=CO5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N2O5/c32-29-24-8-7-23(17-27(24)34-19-25(29)22-4-2-1-3-5-22)33-15-14-30-10-12-31(13-11-30)18-21-6-9-26-28(16-21)36-20-35-26/h1-9,16-17,19H,10-15,18,20H2/p+1