8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-methyl-2-phenyl-chromen-4-one

Systemtic Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-methyl-2-phenyl-chromen-4-one Openeye Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-2-phenylchromen-4-one Traditional Name: 3-methyl-2-phenyl-8-(4-piperonylpiperazin-4-ium-1-carbonyl)chromone Formula: C29H27N2O5+ MolecularWeight: 483.53508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N2O5/c1-19-26(32)22-8-5-9-23(28(22)36-27(19)21-6-3-2-4-7-21)29(33)31-14-12-30(13-15-31)17-20-10-11-24-25(16-20)35-18-34-24/h2-11,16H,12-15,17-18H2,1H3/p+1