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

Systemtic Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-3-methyl-2-phenyl-chromen-4-one Openeye Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: 8-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: 8-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-3-methyl-2-phenylchromen-4-one Traditional Name: 3-methyl-2-phenyl-8-(4-veratrylpiperazin-4-ium-1-carbonyl)chromone Formula: C30H31N2O5+ MolecularWeight: 499.57754

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=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O5/c1-20-27(33)23-10-7-11-24(29(23)37-28(20)22-8-5-4-6-9-22)30(34)32-16-14-31(15-17-32)19-21-12-13-25(35-2)26(18-21)36-3/h4-13,18H,14-17,19H2,1-3H3/p+1